6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione

C13H18N4O2S — CID 60965303

IUPAC6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2ccc(C)s2)c(=O)[nH]c1=O
InChIInChI=1S/C13H18N4O2S/c1-3-6-17-11(14)10(12(18)16-13(17)19)15-7-9-5-4-8(2)20-9/h4-5,15H,3,6-7,14H2,1-2H3,(H,16,18,19)
InChIKeyOXWARRCYTYELBE-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.51
Rot. Bonds5

About 6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione

6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 60965303) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
PubChem CID60965303
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2ccc(C)s2)c(=O)[nH]c1=O
InChIInChI=1S/C13H18N4O2S/c1-3-6-17-11(14)10(12(18)16-13(17)19)15-7-9-5-4-8(2)20-9/h4-5,15H,3,6-7,14H2,1-2H3,(H,16,18,19)
InChIKeyOXWARRCYTYELBE-UHFFFAOYSA-N
XLogP1.51
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-5-[(5-methylthiophen-2-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-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 60965294
6-amino-5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 103704539
6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 61401153
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
CID 54885221
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
CID 54933726
6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
CID 60661605
6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 113248923
6-amino-5-(2-morpholin-4-ylethylamino)-1-propylpyrimidine-2,4-dione
CID 2398060
6-amino-5-(2,2-dimethylhydrazinyl)-1-propylpyrimidine-2,4-dione
CID 83026863

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione (CID 60965303) is 6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCc2ccc(C)s2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is OXWARRCYTYELBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-6-17-11(14)10(12(18)16-13(17)19)15-7-9-5-4-8(2)20-9/h4-5,15H,3,6-7,14H2,1-2H3,(H,16,18,19).
What are the key properties of 6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 294.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 60965303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).