4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine

C11H18N4S — CID 114541902

IUPAC4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NC2CCC(C)C2)n1
InChIInChI=1S/C11H18N4S/c1-7-3-4-8(5-7)13-10-6-9(12)14-11(15-10)16-2/h6-8H,3-5H2,1-2H3,(H3,12,13,14,15)
InChIKeyWDLFBSASOGLTLU-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.38
Rot. Bonds3

About 4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 114541902) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID114541902
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NC2CCC(C)C2)n1
InChIInChI=1S/C11H18N4S/c1-7-3-4-8(5-7)13-10-6-9(12)14-11(15-10)16-2/h6-8H,3-5H2,1-2H3,(H3,12,13,14,15)
InChIKeyWDLFBSASOGLTLU-UHFFFAOYSA-N
XLogP2.38
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol
CID 80856633
N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80915423
2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80807984
4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841108
2-N-(3-methylcyclopentyl)pyridine-2,4-diamine
CID 114543200
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80840347
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841556
2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
CID 114124123
4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770552
6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 107416021
4-N-(3-methoxycyclopentyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 114118397
N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80931790

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 114541902) is 4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)cc(NC2CCC(C)C2)n1.
What is the InChIKey of 4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is WDLFBSASOGLTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-7-3-4-8(5-7)13-10-6-9(12)14-11(15-10)16-2/h6-8H,3-5H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 238.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 114541902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).