2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide

C9H9N5OS — CID 1486933

IUPAC2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)Nc1nccs1
InChIInChI=1S/C9H9N5OS/c1-5-6(4-12-8(10)13-5)7(15)14-9-11-2-3-16-9/h2-4H,1H3,(H2,10,12,13)(H,11,14,15)
InChIKeySEDDRAFPMKXNDR-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.08
Rot. Bonds2

About 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide

2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide (PubChem CID 1486933) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
PubChem CID1486933
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC Name2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)Nc1nccs1
InChIInChI=1S/C9H9N5OS/c1-5-6(4-12-8(10)13-5)7(15)14-9-11-2-3-16-9/h2-4H,1H3,(H2,10,12,13)(H,11,14,15)
InChIKeySEDDRAFPMKXNDR-UHFFFAOYSA-N
XLogP1.08
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide (CID 1486933) is 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide is Cc1nc(N)ncc1C(=O)Nc1nccs1.
What is the InChIKey of 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The InChIKey is SEDDRAFPMKXNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS/c1-5-6(4-12-8(10)13-5)7(15)14-9-11-2-3-16-9/h2-4H,1H3,(H2,10,12,13)(H,11,14,15).
What are the key properties of 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 1486933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).