2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine

C142H212F5N27O7 — CID 159264688

IUPAC2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cnc(N2CCOCC2)nc1.CC(C)(C)c1nccc(N2CCOCC2)n1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)c1nccc(C(C)(F)F)n1.COc1ccnc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)n1.COc1ccnc(C(C)C)c1.COc1ccnc(C(C)C)n1.Cc1c(OCC(C)(F)F)ccnc1C(C)C.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)cn1.Cc1nccnc1C(C)C
InChIInChI=1S/C12H17F2NO.2C12H19N3O.C10H15N.C9H12F2N2.C9H12FN.2C9H14N2O.2C9H14N2.C9H13NO.C9H13N.C8H12N2O.2C8H12N2/c1-8(2)11-9(3)10(5-6-15-11)16-7-12(4,13)14;1-12(2,3)10-8-13-11(14-9-10)15-4-6-16-7-5-15;1-12(2,3)11-13-5-4-10(14-11)15-6-8-16-9-7-15;1-8-6-5-7-11-9(8)10(2,3)4;1-6(2)8-12-5-4-7(13-8)9(3,10)11;1-9(2,3)8-7(10)5-4-6-11-8;2*1-9(2,3)8-10-6-5-7(11-8)12-4;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-7(2)9-6-8(11-3)4-5-10-9;1-9(2,3)8-6-4-5-7-10-8;1-6(2)8-9-5-4-7(10-8)11-3;1-8(2,3)7-9-5-4-6-10-7;1-6(2)8-7(3)9-4-5-10-8/h5-6,8H,7H2,1-4H3;8-9H,4-7H2,1-3H3;4-5H,6-9H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3;4-6H,1-3H3;2*5-6H,1-4H3;2*5-6H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;2*4-6H,1-3H3
InChIKeyKWYKGXWRPJSTNW-UHFFFAOYSA-N
MW2504.43 g/mol
LogP32.30
Rot. Bonds15

About 2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine

2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine (PubChem CID 159264688) has the molecular formula C142H212F5N27O7 and a molecular weight of 2504.43 g/mol. Its IUPAC name is 2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine
PubChem CID159264688
Molecular FormulaC142H212F5N27O7
Molecular Weight2504.43 g/mol
Exact Mass2502.70
IUPAC Name2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cnc(N2CCOCC2)nc1.CC(C)(C)c1nccc(N2CCOCC2)n1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)c1nccc(C(C)(F)F)n1.COc1ccnc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)n1.COc1ccnc(C(C)C)c1.COc1ccnc(C(C)C)n1.Cc1c(OCC(C)(F)F)ccnc1C(C)C.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)cn1.Cc1nccnc1C(C)C
InChIInChI=1S/C12H17F2NO.2C12H19N3O.C10H15N.C9H12F2N2.C9H12FN.2C9H14N2O.2C9H14N2.C9H13NO.C9H13N.C8H12N2O.2C8H12N2/c1-8(2)11-9(3)10(5-6-15-11)16-7-12(4,13)14;1-12(2,3)10-8-13-11(14-9-10)15-4-6-16-7-5-15;1-12(2,3)11-13-5-4-10(14-11)15-6-8-16-9-7-15;1-8-6-5-7-11-9(8)10(2,3)4;1-6(2)8-12-5-4-7(13-8)9(3,10)11;1-9(2,3)8-7(10)5-4-6-11-8;2*1-9(2,3)8-10-6-5-7(11-8)12-4;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-7(2)9-6-8(11-3)4-5-10-9;1-9(2,3)8-6-4-5-7-10-8;1-6(2)8-9-5-4-7(10-8)11-3;1-8(2,3)7-9-5-4-6-10-7;1-6(2)8-7(3)9-4-5-10-8/h5-6,8H,7H2,1-4H3;8-9H,4-7H2,1-3H3;4-5H,6-9H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3;4-6H,1-3H3;2*5-6H,1-4H3;2*5-6H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;2*4-6H,1-3H3
InChIKeyKWYKGXWRPJSTNW-UHFFFAOYSA-N
XLogP32.30
TPSA393.34 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds15
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002504.43
LogP ≤ 532.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine?
The IUPAC name of 2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine (CID 159264688) is 2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine.
What is the SMILES notation for 2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine?
The canonical SMILES for 2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine is CC(C)(C)c1ccccn1.CC(C)(C)c1cnc(N2CCOCC2)nc1.CC(C)(C)c1nccc(N2CCOCC2)n1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)c1nccc(C(C)(F)F)n1.COc1ccnc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)n1.COc1ccnc(C(C)C)c1.COc1ccnc(C(C)C)n1.Cc1c(OCC(C)(F)F)ccnc1C(C)C.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)cn1.Cc1nccnc1C(C)C.
What is the InChIKey of 2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine?
The InChIKey is KWYKGXWRPJSTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO.2C12H19N3O.C10H15N.C9H12F2N2.C9H12FN.2C9H14N2O.2C9H14N2.C9H13NO.C9H13N.C8H12N2O.2C8H12N2/c1-8(2)11-9(3)10(5-6-15-11)16-7-12(4,13)14;1-12(2,3)10-8-13-11(14-9-10)15-4-6-16-7-5-15;1-12(2,3)11-13-5-4-10(14-11)15-6-8-16-9-7-15;1-8-6-5-7-11-9(8)10(2,3)4;1-6(2)8-12-5-4-7(13-8)9(3,10)11;1-9(2,3)8-7(10)5-4-6-11-8;2*1-9(2,3)8-10-6-5-7(11-8)12-4;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-7(2)9-6-8(11-3)4-5-10-9;1-9(2,3)8-6-4-5-7-10-8;1-6(2)8-9-5-4-7(10-8)11-3;1-8(2,3)7-9-5-4-6-10-7;1-6(2)8-7(3)9-4-5-10-8/h5-6,8H,7H2,1-4H3;8-9H,4-7H2,1-3H3;4-5H,6-9H2,1-3H3;5-7H,1-4H3;4-6H,1-3H3;4-6H,1-3H3;2*5-6H,1-4H3;2*5-6H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;2*4-6H,1-3H3.
What are the key properties of 2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine?
2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine has a molecular weight of 2504.43 g/mol, XLogP of 32.30, 15 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-fluoropyridine;bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyrimidine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;4-(2,2-difluoropropoxy)-3-methyl-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine is sourced from PubChem (CID 159264688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).