2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine

C42H60F3N9 — CID 158435694

IUPAC2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Cc1ccccn1.CC(C)Cc1ccnc(C(F)(F)F)n1.CC(C)Cc1ccncn1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1
InChIInChI=1S/C9H11F3N2.C9H13N.3C8H12N2/c1-6(2)5-7-3-4-13-8(14-7)9(10,11)12;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)6-8-9-4-3-5-10-8/h3-4,6H,5H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeyHCERRJNKYPLCBV-UHFFFAOYSA-N
MW748.00 g/mol
LogP10.00
Rot. Bonds10

About 2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine

2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 158435694) has the molecular formula C42H60F3N9 and a molecular weight of 748.00 g/mol. Its IUPAC name is 2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
PubChem CID158435694
Molecular FormulaC42H60F3N9
Molecular Weight748.00 g/mol
Exact Mass747.49
IUPAC Name2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Cc1ccccn1.CC(C)Cc1ccnc(C(F)(F)F)n1.CC(C)Cc1ccncn1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1
InChIInChI=1S/C9H11F3N2.C9H13N.3C8H12N2/c1-6(2)5-7-3-4-13-8(14-7)9(10,11)12;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)6-8-9-4-3-5-10-8/h3-4,6H,5H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeyHCERRJNKYPLCBV-UHFFFAOYSA-N
XLogP10.00
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.00
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)pyrido[2,3-b]pyrazin-8-amine
CID 46203867
N-(5-(trifluoromethyl)pyrazin-2-yl)-7-(3-(trifluoromethyl)pyridin-2-yl)-1,8-naphthyridin-4-amine
CID 49863783
2-(piperidin-1-yl)-N-(5-(trifluoromethyl)pyrazin-2-yl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52943679
N-[(5,5-difluoropiperidin-3-yl)methyl]-7-[6-(dimethylamino)pyridin-3-yl]pyrido[3,4-b]pyrazin-5-amine
CID 68310172
6-{4-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-5-pyridin-4-yl-pyrimidin-4-ylamine
CID 89445387
7-[4-(2-Pyrimidinyl)piperazino]-2,4-bis(trifluoromethyl)[1,8]naphthyridine
CID 2766446
N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 3262159
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
N-Methyl-N-(phenylmethyl)-2,6-di-2-pyridinyl-4-pyrimidinamine
CID 3515364
4-(4-Methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine
CID 3608410
4-(4-Methylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 4348221
4-(4-Methylpiperazin-1-yl)-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 4388740

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine (CID 158435694) is 2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine is CC(C)Cc1ccccn1.CC(C)Cc1ccnc(C(F)(F)F)n1.CC(C)Cc1ccncn1.CC(C)Cc1cnccn1.CC(C)Cc1ncccn1.
What is the InChIKey of 2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is HCERRJNKYPLCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2.C9H13N.3C8H12N2/c1-6(2)5-7-3-4-13-8(14-7)9(10,11)12;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)6-8-9-4-3-5-10-8/h3-4,6H,5H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 748.00 g/mol, XLogP of 10.00, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 158435694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).