6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine

C13H22N4O2S — CID 80813241

IUPAC6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C13H22N4O2S/c1-4-5-10-11(14-3)15-9-16-12(10)17-13(2)6-7-20(18,19)8-13/h9H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyXLMLEQORLIJMQK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.46
Rot. Bonds5

About 6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine

6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80813241) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine
PubChem CID80813241
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C13H22N4O2S/c1-4-5-10-11(14-3)15-9-16-12(10)17-13(2)6-7-20(18,19)8-13/h9H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyXLMLEQORLIJMQK-UHFFFAOYSA-N
XLogP1.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine 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

4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-(2,2-dimethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80850251
4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 114102516
4-N-(2,2-dimethylcyclopentyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80850168
6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 80902625
2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 80934599
2-chloro-5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 79073567
6-N,5-diethyl-4-N-(1-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80819002
5-chloro-4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136971166
4-N-(1,1-dioxothian-4-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80790126
4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80803017
6-N,2-diethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 80934530

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine (CID 80813241) is 6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is XLMLEQORLIJMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-5-10-11(14-3)15-9-16-12(10)17-13(2)6-7-20(18,19)8-13/h9H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine?
6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 298.41 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80813241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).