2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide

C18H18N6O — CID 155955800

IUPAC2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)ncc1C(=O)Nc1cccc(Cn2cnnc2)c1
InChIInChI=1S/C18H18N6O/c1-12-16(8-19-17(22-12)14-5-6-14)18(25)23-15-4-2-3-13(7-15)9-24-10-20-21-11-24/h2-4,7-8,10-11,14H,5-6,9H2,1H3,(H,23,25)
InChIKeyMNQXJNHDVOPXSP-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.55
Rot. Bonds5

About 2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide

2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 155955800) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID155955800
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)ncc1C(=O)Nc1cccc(Cn2cnnc2)c1
InChIInChI=1S/C18H18N6O/c1-12-16(8-19-17(22-12)14-5-6-14)18(25)23-15-4-2-3-13(7-15)9-24-10-20-21-11-24/h2-4,7-8,10-11,14H,5-6,9H2,1H3,(H,23,25)
InChIKeyMNQXJNHDVOPXSP-UHFFFAOYSA-N
XLogP2.55
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 1487911
5,7-Dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid benzylamide
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N-[(2,6-difluorophenyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 11524891
N-[3-[[5-cyclopropyl-2-[3-(1,2,4-triazol-1-ylmethyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
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4-(3-methylanilino)-2-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-5-carboxamide
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3-(4-cyclopropyl-1H-imidazol-1-yl)-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)benzamide
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USRE48711, Example 184
CID 58103093
N-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357902

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide (CID 155955800) is 2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide is Cc1nc(C2CC2)ncc1C(=O)Nc1cccc(Cn2cnnc2)c1.
What is the InChIKey of 2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is MNQXJNHDVOPXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12-16(8-19-17(22-12)14-5-6-14)18(25)23-15-4-2-3-13(7-15)9-24-10-20-21-11-24/h2-4,7-8,10-11,14H,5-6,9H2,1H3,(H,23,25).
What are the key properties of 2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide?
2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155955800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).