2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide

C16H16N6OS — CID 46225677

IUPAC2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCc1csc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)n1
InChIInChI=1S/C16H16N6OS/c1-9-4-3-5-18-13(9)7-19-14(23)11-6-12(22-16(17)21-11)15-20-10(2)8-24-15/h3-6,8H,7H2,1-2H3,(H,19,23)(H2,17,21,22)
InChIKeyIGVWFYUNOUIDFI-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide

2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 46225677) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID46225677
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCc1csc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)n1
InChIInChI=1S/C16H16N6OS/c1-9-4-3-5-18-13(9)7-19-14(23)11-6-12(22-16(17)21-11)15-20-10(2)8-24-15/h3-6,8H,7H2,1-2H3,(H,19,23)(H2,17,21,22)
InChIKeyIGVWFYUNOUIDFI-UHFFFAOYSA-N
XLogP2.12
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide (CID 46225677) is 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide is Cc1csc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)n1.
What is the InChIKey of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is IGVWFYUNOUIDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-9-4-3-5-18-13(9)7-19-14(23)11-6-12(22-16(17)21-11)15-20-10(2)8-24-15/h3-6,8H,7H2,1-2H3,(H,19,23)(H2,17,21,22).
What are the key properties of 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methyl-2-pyridinyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 46225677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).