5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine

C34H46F2N10 — CID 162032937

IUPAC5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine
SMILESCCCc1cnc(C)nc1.CCc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1ncc(C(C)(F)F)cn1
InChIInChI=1S/C8H12N2.C7H8F2N2.C7H10N2.2C6H8N2/c1-3-4-8-5-9-7(2)10-6-8;1-5-10-3-6(4-11-5)7(2,8)9;1-3-7-5-8-6(2)4-9-7;2*1-5-3-7-6(2)8-4-5/h5-6H,3-4H2,1-2H3;3-4H,1-2H3;4-5H,3H2,1-2H3;2*3-4H,1-2H3
InChIKeyYWGPYLXVBJNDPB-UHFFFAOYSA-N
MW632.81 g/mol
LogP7.17
Rot. Bonds4

About 5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine

5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine (PubChem CID 162032937) has the molecular formula C34H46F2N10 and a molecular weight of 632.81 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine
PubChem CID162032937
Molecular FormulaC34H46F2N10
Molecular Weight632.81 g/mol
Exact Mass632.39
IUPAC Name5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine
SMILESCCCc1cnc(C)nc1.CCc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1ncc(C(C)(F)F)cn1
InChIInChI=1S/C8H12N2.C7H8F2N2.C7H10N2.2C6H8N2/c1-3-4-8-5-9-7(2)10-6-8;1-5-10-3-6(4-11-5)7(2,8)9;1-3-7-5-8-6(2)4-9-7;2*1-5-3-7-6(2)8-4-5/h5-6H,3-4H2,1-2H3;3-4H,1-2H3;4-5H,3H2,1-2H3;2*3-4H,1-2H3
InChIKeyYWGPYLXVBJNDPB-UHFFFAOYSA-N
XLogP7.17
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine?
The IUPAC name of 5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine (CID 162032937) is 5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine is CCCc1cnc(C)nc1.CCc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1ncc(C(C)(F)F)cn1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine?
The InChIKey is YWGPYLXVBJNDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C7H8F2N2.C7H10N2.2C6H8N2/c1-3-4-8-5-9-7(2)10-6-8;1-5-10-3-6(4-11-5)7(2,8)9;1-3-7-5-8-6(2)4-9-7;2*1-5-3-7-6(2)8-4-5/h5-6H,3-4H2,1-2H3;3-4H,1-2H3;4-5H,3H2,1-2H3;2*3-4H,1-2H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine?
5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine has a molecular weight of 632.81 g/mol, XLogP of 7.17, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-methylpyrimidine;bis(2,5-dimethylpyrimidine);2-ethyl-5-methylpyrazine;2-methyl-5-propylpyrimidine is sourced from PubChem (CID 162032937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).