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

C18H17N5O2 — CID 44520952

IUPAC2-amino-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)cc1
InChIInChI=1S/C18H17N5O2/c1-25-14-7-5-12(6-8-14)15-10-16(23-18(19)22-15)17(24)21-11-13-4-2-3-9-20-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23)
InChIKeyPOKSLRNNWIKCRY-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.06
Rot. Bonds5

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

2-amino-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 44520952) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-amino-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID44520952
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-amino-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)cc1
InChIInChI=1S/C18H17N5O2/c1-25-14-7-5-12(6-8-14)15-10-16(23-18(19)22-15)17(24)21-11-13-4-2-3-9-20-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23)
InChIKeyPOKSLRNNWIKCRY-UHFFFAOYSA-N
XLogP2.06
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 44520952) is 2-amino-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)cc1.
What is the InChIKey of 2-amino-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is POKSLRNNWIKCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-25-14-7-5-12(6-8-14)15-10-16(23-18(19)22-15)17(24)21-11-13-4-2-3-9-20-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23).
What are the key properties of 2-amino-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-amino-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).