5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C15H17ClN4O — CID 62017148

IUPAC5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)N(C)Cc2ccncc2)n1
InChIInChI=1S/C15H17ClN4O/c1-10(2)14-18-8-12(16)13(19-14)15(21)20(3)9-11-4-6-17-7-5-11/h4-8,10H,9H2,1-3H3
InChIKeySZZOVILIHBKXLU-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.92
Rot. Bonds4

About 5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 62017148) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID62017148
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)N(C)Cc2ccncc2)n1
InChIInChI=1S/C15H17ClN4O/c1-10(2)14-18-8-12(16)13(19-14)15(21)20(3)9-11-4-6-17-7-5-11/h4-8,10H,9H2,1-3H3
InChIKeySZZOVILIHBKXLU-UHFFFAOYSA-N
XLogP2.92
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 62017148) is 5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)N(C)Cc2ccncc2)n1.
What is the InChIKey of 5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is SZZOVILIHBKXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10(2)14-18-8-12(16)13(19-14)15(21)20(3)9-11-4-6-17-7-5-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62017148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).