6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine

C13H22N4S — CID 114124181

IUPAC6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCC(SC)C2)nc(C)n1
InChIInChI=1S/C13H22N4S/c1-4-14-12-8-13(16-9(2)15-12)17-10-5-6-11(7-10)18-3/h8,10-11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeySMWNLFYELVOUHZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.91
Rot. Bonds5

About 6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine

6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine (PubChem CID 114124181) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
PubChem CID114124181
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCC(SC)C2)nc(C)n1
InChIInChI=1S/C13H22N4S/c1-4-14-12-8-13(16-9(2)15-12)17-10-5-6-11(7-10)18-3/h8,10-11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeySMWNLFYELVOUHZ-UHFFFAOYSA-N
XLogP2.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine
CID 113244238
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841556
6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine
CID 113237755
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80813937
2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778341
6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
CID 114123922
5-methyl-N-(3-methylsulfanylcyclopentyl)pyridin-2-amine
CID 103704113
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103880252
6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103704181
2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
CID 114124123

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine (CID 114124181) is 6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine is CCNc1cc(NC2CCC(SC)C2)nc(C)n1.
What is the InChIKey of 6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine?
The InChIKey is SMWNLFYELVOUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-4-14-12-8-13(16-9(2)15-12)17-10-5-6-11(7-10)18-3/h8,10-11H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine?
6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114124181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).