6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide

C24H29N7O — CID 59446966

IUPAC6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C24H29N7O/c32-24(29-20-10-8-18(9-11-20)13-30-17-25-15-28-30)22-12-23(27-16-26-22)31(14-19-6-7-19)21-4-2-1-3-5-21/h8-12,15-17,19,21H,1-7,13-14H2,(H,29,32)
InChIKeyFZLJHMHSIHQBEH-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.92
Rot. Bonds8

About 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide

6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 59446966) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID59446966
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C24H29N7O/c32-24(29-20-10-8-18(9-11-20)13-30-17-25-15-28-30)22-12-23(27-16-26-22)31(14-19-6-7-19)21-4-2-1-3-5-21/h8-12,15-17,19,21H,1-7,13-14H2,(H,29,32)
InChIKeyFZLJHMHSIHQBEH-UHFFFAOYSA-N
XLogP3.92
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide (CID 59446966) is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide is O=C(Nc1ccc(Cn2cncn2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1.
What is the InChIKey of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is FZLJHMHSIHQBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c32-24(29-20-10-8-18(9-11-20)13-30-17-25-15-28-30)22-12-23(27-16-26-22)31(14-19-6-7-19)21-4-2-1-3-5-21/h8-12,15-17,19,21H,1-7,13-14H2,(H,29,32).
What are the key properties of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide?
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 59446966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).