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

C15H17N7OS — CID 59022916

IUPAC2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCc1csc(-c2cc(C(=O)NCc3cn(C)nc3C)nc(N)n2)n1
InChIInChI=1S/C15H17N7OS/c1-8-7-24-14(18-8)12-4-11(19-15(16)20-12)13(23)17-5-10-6-22(3)21-9(10)2/h4,6-7H,5H2,1-3H3,(H,17,23)(H2,16,19,20)
InChIKeyAUEACUIBHAGKIV-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.46
Rot. Bonds4

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

2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 59022916) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID59022916
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCc1csc(-c2cc(C(=O)NCc3cn(C)nc3C)nc(N)n2)n1
InChIInChI=1S/C15H17N7OS/c1-8-7-24-14(18-8)12-4-11(19-15(16)20-12)13(23)17-5-10-6-22(3)21-9(10)2/h4,6-7H,5H2,1-3H3,(H,17,23)(H2,16,19,20)
InChIKeyAUEACUIBHAGKIV-UHFFFAOYSA-N
XLogP1.46
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide (CID 59022916) is 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide is Cc1csc(-c2cc(C(=O)NCc3cn(C)nc3C)nc(N)n2)n1.
What is the InChIKey of 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is AUEACUIBHAGKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-8-7-24-14(18-8)12-4-11(19-15(16)20-12)13(23)17-5-10-6-22(3)21-9(10)2/h4,6-7H,5H2,1-3H3,(H,17,23)(H2,16,19,20).
What are the key properties of 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 59022916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).