6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione

C12H17N5O3S — CID 106382190

IUPAC6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NCc2csc(=O)[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N5O3S/c1-6(2)4-17-9(13)8(10(18)16-11(17)19)14-3-7-5-21-12(20)15-7/h5-6,14H,3-4,13H2,1-2H3,(H,15,20)(H,16,18,19)
InChIKeyHYQAJVWVZHIPHV-UHFFFAOYSA-N
MW311.37 g/mol
LogP0.14
Rot. Bonds5

About 6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione

6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione (PubChem CID 106382190) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione
PubChem CID106382190
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NCc2csc(=O)[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N5O3S/c1-6(2)4-17-9(13)8(10(18)16-11(17)19)14-3-7-5-21-12(20)15-7/h5-6,14H,3-4,13H2,1-2H3,(H,15,20)(H,16,18,19)
InChIKeyHYQAJVWVZHIPHV-UHFFFAOYSA-N
XLogP0.14
TPSA125.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]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-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 104828680
6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione
CID 60648991
6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
CID 54933303
6-amino-5-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61043333
6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 106382042
6-amino-1-(2-methylpropyl)-5-(pentan-3-ylamino)pyrimidine-2,4-dione
CID 60649265
6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106158491
6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106245801
6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61368693
6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 2432599
4-[[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106382117
6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 60965294

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione (CID 106382190) is 6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione is CC(C)Cn1c(N)c(NCc2csc(=O)[nH]2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione?
The InChIKey is HYQAJVWVZHIPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-6(2)4-17-9(13)8(10(18)16-11(17)19)14-3-7-5-21-12(20)15-7/h5-6,14H,3-4,13H2,1-2H3,(H,15,20)(H,16,18,19).
What are the key properties of 6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione?
6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione has a molecular weight of 311.37 g/mol, XLogP of 0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 106382190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).