2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one

C17H19N5O2S — CID 58449273

IUPAC2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one
SMILESCc1cc(C(=O)Cc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)ns1
InChIInChI=1S/C17H19N5O2S/c1-10-6-12(21-25-10)13(23)7-11-4-5-19-14(8-11)17(2)9-15(24)22(3)16(18)20-17/h4-6,8H,7,9H2,1-3H3,(H2,18,20)
InChIKeyJOVRNYJZOAXFSU-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.66
Rot. Bonds4

About 2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one

2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one (PubChem CID 58449273) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one
PubChem CID58449273
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one
SMILESCc1cc(C(=O)Cc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)ns1
InChIInChI=1S/C17H19N5O2S/c1-10-6-12(21-25-10)13(23)7-11-4-5-19-14(8-11)17(2)9-15(24)22(3)16(18)20-17/h4-6,8H,7,9H2,1-3H3,(H2,18,20)
InChIKeyJOVRNYJZOAXFSU-UHFFFAOYSA-N
XLogP1.66
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448983
2-amino-6-[4-(2-imidazo[2,1-b][1,3]thiazol-6-yl-2-oxoethyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449101
2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448991
2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one
CID 58448772
2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one
CID 58448898
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
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 70232328
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-hydroxypyridine-2-carboxamide
CID 70233565
2-amino-3,6-dimethyl-6-[3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
CID 58448766
(6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 89248111
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-2-chloro-1,3-oxazole-4-carboxamide
CID 70232154
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide
CID 70234249

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one (CID 58449273) is 2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one is Cc1cc(C(=O)Cc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)ns1.
What is the InChIKey of 2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one?
The InChIKey is JOVRNYJZOAXFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-10-6-12(21-25-10)13(23)7-11-4-5-19-14(8-11)17(2)9-15(24)22(3)16(18)20-17/h4-6,8H,7,9H2,1-3H3,(H2,18,20).
What are the key properties of 2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one?
2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one has a molecular weight of 357.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one is sourced from PubChem (CID 58449273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).