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

C15H14Cl2N6O2S — CID 70235107

IUPACN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-4,5-dichloro-1,2-thiazole-3-carboxamide
SMILESCN1C(=O)CC(C)(c2cc(NC(=O)c3nsc(Cl)c3Cl)ccn2)N=C1N
InChIInChI=1S/C15H14Cl2N6O2S/c1-15(6-9(24)23(2)14(18)21-15)8-5-7(3-4-19-8)20-13(25)11-10(16)12(17)26-22-11/h3-5H,6H2,1-2H3,(H2,18,21)(H,19,20,25)
InChIKeyUAOICHVXJCRZGY-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.49
Rot. Bonds3

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

N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-4,5-dichloro-1,2-thiazole-3-carboxamide (PubChem CID 70235107) has the molecular formula C15H14Cl2N6O2S and a molecular weight of 413.29 g/mol. Its IUPAC name is N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-4,5-dichloro-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-4,5-dichloro-1,2-thiazole-3-carboxamide
PubChem CID70235107
Molecular FormulaC15H14Cl2N6O2S
Molecular Weight413.29 g/mol
Exact Mass412.03
IUPAC NameN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-4,5-dichloro-1,2-thiazole-3-carboxamide
SMILESCN1C(=O)CC(C)(c2cc(NC(=O)c3nsc(Cl)c3Cl)ccn2)N=C1N
InChIInChI=1S/C15H14Cl2N6O2S/c1-15(6-9(24)23(2)14(18)21-15)8-5-7(3-4-19-8)20-13(25)11-10(16)12(17)26-22-11/h3-5H,6H2,1-2H3,(H2,18,21)(H,19,20,25)
InChIKeyUAOICHVXJCRZGY-UHFFFAOYSA-N
XLogP2.49
TPSA113.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.49
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]-4,5-dichloro-1,2-thiazole-3-carboxamide?
The IUPAC name of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-4,5-dichloro-1,2-thiazole-3-carboxamide (CID 70235107) is N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-4,5-dichloro-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-4,5-dichloro-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-4,5-dichloro-1,2-thiazole-3-carboxamide is CN1C(=O)CC(C)(c2cc(NC(=O)c3nsc(Cl)c3Cl)ccn2)N=C1N.
What is the InChIKey of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-4,5-dichloro-1,2-thiazole-3-carboxamide?
The InChIKey is UAOICHVXJCRZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N6O2S/c1-15(6-9(24)23(2)14(18)21-15)8-5-7(3-4-19-8)20-13(25)11-10(16)12(17)26-22-11/h3-5H,6H2,1-2H3,(H2,18,21)(H,19,20,25).
What are the key properties of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-4,5-dichloro-1,2-thiazole-3-carboxamide?
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-4,5-dichloro-1,2-thiazole-3-carboxamide has a molecular weight of 413.29 g/mol, XLogP of 2.49, 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]-4,5-dichloro-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 70235107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).