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

C12H17N5O3S — CID 106382042

IUPAC6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2csc(=O)[nH]2)c(=O)n(C)c1=O
InChIInChI=1S/C12H17N5O3S/c1-3-4-17-9(13)8(10(18)16(2)12(17)20)14-5-7-6-21-11(19)15-7/h6,14H,3-5,13H2,1-2H3,(H,15,19)
InChIKeyWARYRPFFPQUULY-UHFFFAOYSA-N
MW311.37 g/mol
LogP-0.10
Rot. Bonds5

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

6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 106382042) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is 6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione
PubChem CID106382042
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2csc(=O)[nH]2)c(=O)n(C)c1=O
InChIInChI=1S/C12H17N5O3S/c1-3-4-17-9(13)8(10(18)16(2)12(17)20)14-5-7-6-21-11(19)15-7/h6,14H,3-5,13H2,1-2H3,(H,15,19)
InChIKeyWARYRPFFPQUULY-UHFFFAOYSA-N
XLogP-0.10
TPSA114.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-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-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione
CID 60676346
6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione
CID 106382190
6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione
CID 104577376
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide
CID 60677988
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea
CID 83112782
6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 102699140
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106144538
6-amino-5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 61023824
4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181572
5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione
CID 14257879
6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione
CID 115279386
6-amino-3-methyl-5-(3-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 61463422

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione (CID 106382042) is 6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCc2csc(=O)[nH]2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is WARYRPFFPQUULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-3-4-17-9(13)8(10(18)16(2)12(17)20)14-5-7-6-21-11(19)15-7/h6,14H,3-5,13H2,1-2H3,(H,15,19).
What are the key properties of 6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 311.37 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 106382042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).