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

C18H18N6O — CID 154839096

IUPAC4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)c(C2CC2)n1
InChIInChI=1S/C18H18N6O/c1-11-19-9-15(16(21-11)12-3-4-12)18(25)22-14-7-5-13(6-8-14)17-20-10-24(2)23-17/h5-10,12H,3-4H2,1-2H3,(H,22,25)
InChIKeyBYDPWDXIQPDSFY-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.71
Rot. Bonds4

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

4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide (PubChem CID 154839096) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide
PubChem CID154839096
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)c(C2CC2)n1
InChIInChI=1S/C18H18N6O/c1-11-19-9-15(16(21-11)12-3-4-12)18(25)22-14-7-5-13(6-8-14)17-20-10-24(2)23-17/h5-10,12H,3-4H2,1-2H3,(H,22,25)
InChIKeyBYDPWDXIQPDSFY-UHFFFAOYSA-N
XLogP2.71
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75504194
4-(1-but-2-ynoylpiperidin-4-yl)-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 146072727
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide
CID 75521085
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 75521087
cis-(1R,2S)-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129401772
3-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166228974
N-[4-(azepane-1-carbonyl)phenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 75475339
4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75477317
4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide
CID 129480454
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126766189
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 126793079
4-cyclopropyl-N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrimidine-5-carboxamide
CID 136539953

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide (CID 154839096) is 4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is BYDPWDXIQPDSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11-19-9-15(16(21-11)12-3-4-12)18(25)22-14-7-5-13(6-8-14)17-20-10-24(2)23-17/h5-10,12H,3-4H2,1-2H3,(H,22,25).
What are the key properties of 4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide?
4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 154839096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).