2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C18H17N5O — CID 44520948

IUPAC2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1
InChIInChI=1S/C18H17N5O/c1-12-5-4-6-13(9-12)15-10-16(23-18(19)22-15)17(24)21-11-14-7-2-3-8-20-14/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23)
InChIKeyDYMSEOCOAQDMJQ-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.36
Rot. Bonds4

About 2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 44520948) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID44520948
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1
InChIInChI=1S/C18H17N5O/c1-12-5-4-6-13(9-12)15-10-16(23-18(19)22-15)17(24)21-11-14-7-2-3-8-20-14/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23)
InChIKeyDYMSEOCOAQDMJQ-UHFFFAOYSA-N
XLogP2.36
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 44520948) is 2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Cc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1.
What is the InChIKey of 2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is DYMSEOCOAQDMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-5-4-6-13(9-12)15-10-16(23-18(19)22-15)17(24)21-11-14-7-2-3-8-20-14/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23).
What are the key properties of 2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).