6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

C19H23N5O3S — CID 17471294

IUPAC6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCOc1cccc(Nc2nc(-c3c(N)n(CC(C)C)c(=O)n(C)c3=O)cs2)c1
InChIInChI=1S/C19H23N5O3S/c1-11(2)9-24-16(20)15(17(25)23(3)19(24)26)14-10-28-18(22-14)21-12-6-5-7-13(8-12)27-4/h5-8,10-11H,9,20H2,1-4H3,(H,21,22)
InChIKeySHRSLZKAKLXKAN-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.66
Rot. Bonds6

About 6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 17471294) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID17471294
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCOc1cccc(Nc2nc(-c3c(N)n(CC(C)C)c(=O)n(C)c3=O)cs2)c1
InChIInChI=1S/C19H23N5O3S/c1-11(2)9-24-16(20)15(17(25)23(3)19(24)26)14-10-28-18(22-14)21-12-6-5-7-13(8-12)27-4/h5-8,10-11H,9,20H2,1-4H3,(H,21,22)
InChIKeySHRSLZKAKLXKAN-UHFFFAOYSA-N
XLogP2.66
TPSA104.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione 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

6-amino-5-[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4823617
6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9173921
6-amino-5-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9420731
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
CID 60528867
N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214674
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910966
N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine
CID 167993102
4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 167752190
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
CID 5037390

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 17471294) is 6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is COc1cccc(Nc2nc(-c3c(N)n(CC(C)C)c(=O)n(C)c3=O)cs2)c1.
What is the InChIKey of 6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is SHRSLZKAKLXKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-11(2)9-24-16(20)15(17(25)23(3)19(24)26)14-10-28-18(22-14)21-12-6-5-7-13(8-12)27-4/h5-8,10-11H,9,20H2,1-4H3,(H,21,22).
What are the key properties of 6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 401.49 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 17471294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).