2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide

C14H13N7OS — CID 59022896

IUPAC2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1csc(-c2cc(C(=O)NCc3ccncn3)nc(N)n2)n1
InChIInChI=1S/C14H13N7OS/c1-8-6-23-13(19-8)11-4-10(20-14(15)21-11)12(22)17-5-9-2-3-16-7-18-9/h2-4,6-7H,5H2,1H3,(H,17,22)(H2,15,20,21)
InChIKeyLGUCOSQKAHXLIO-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.21
Rot. Bonds4

About 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide

2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 59022896) has the molecular formula C14H13N7OS and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID59022896
Molecular FormulaC14H13N7OS
Molecular Weight327.37 g/mol
Exact Mass327.09
IUPAC Name2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1csc(-c2cc(C(=O)NCc3ccncn3)nc(N)n2)n1
InChIInChI=1S/C14H13N7OS/c1-8-6-23-13(19-8)11-4-10(20-14(15)21-11)12(22)17-5-9-2-3-16-7-18-9/h2-4,6-7H,5H2,1H3,(H,17,22)(H2,15,20,21)
InChIKeyLGUCOSQKAHXLIO-UHFFFAOYSA-N
XLogP1.21
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide (CID 59022896) is 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide is Cc1csc(-c2cc(C(=O)NCc3ccncn3)nc(N)n2)n1.
What is the InChIKey of 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is LGUCOSQKAHXLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7OS/c1-8-6-23-13(19-8)11-4-10(20-14(15)21-11)12(22)17-5-9-2-3-16-7-18-9/h2-4,6-7H,5H2,1H3,(H,17,22)(H2,15,20,21).
What are the key properties of 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide?
2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-(pyrimidin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 59022896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).