N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide

C15H15ClN6O3 — CID 70232154

IUPACN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide
SMILESCN1C(=O)CC(C)(c2cc(NC(=O)c3coc(Cl)n3)ccn2)N=C1N
InChIInChI=1S/C15H15ClN6O3/c1-15(6-11(23)22(2)14(17)21-15)10-5-8(3-4-18-10)19-12(24)9-7-25-13(16)20-9/h3-5,7H,6H2,1-2H3,(H2,17,21)(H,18,19,24)
InChIKeyUYBCBMJTFPMWJQ-UHFFFAOYSA-N
MW362.78 g/mol
LogP1.37
Rot. Bonds3

About N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide

N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide (PubChem CID 70232154) has the molecular formula C15H15ClN6O3 and a molecular weight of 362.78 g/mol. Its IUPAC name is N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide
PubChem CID70232154
Molecular FormulaC15H15ClN6O3
Molecular Weight362.78 g/mol
Exact Mass362.09
IUPAC NameN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide
SMILESCN1C(=O)CC(C)(c2cc(NC(=O)c3coc(Cl)n3)ccn2)N=C1N
InChIInChI=1S/C15H15ClN6O3/c1-15(6-11(23)22(2)14(17)21-15)10-5-8(3-4-18-10)19-12(24)9-7-25-13(16)20-9/h3-5,7H,6H2,1-2H3,(H2,17,21)(H,18,19,24)
InChIKeyUYBCBMJTFPMWJQ-UHFFFAOYSA-N
XLogP1.37
TPSA126.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide (CID 70232154) is N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide is CN1C(=O)CC(C)(c2cc(NC(=O)c3coc(Cl)n3)ccn2)N=C1N.
What is the InChIKey of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide?
The InChIKey is UYBCBMJTFPMWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O3/c1-15(6-11(23)22(2)14(17)21-15)10-5-8(3-4-18-10)19-12(24)9-7-25-13(16)20-9/h3-5,7H,6H2,1-2H3,(H2,17,21)(H,18,19,24).
What are the key properties of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide?
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide has a molecular weight of 362.78 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70232154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).