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

C13H20N4S — CID 114124123

IUPAC2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
SMILESCSC1CCC(Nc2cc(N)nc(C3CC3)n2)C1
InChIInChI=1S/C13H20N4S/c1-18-10-5-4-9(6-10)15-12-7-11(14)16-13(17-12)8-2-3-8/h7-10H,2-6H2,1H3,(H3,14,15,16,17)
InChIKeyIFCXQYCEEQTNAS-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.63
Rot. Bonds4

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

2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine (PubChem CID 114124123) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
PubChem CID114124123
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
SMILESCSC1CCC(Nc2cc(N)nc(C3CC3)n2)C1
InChIInChI=1S/C13H20N4S/c1-18-10-5-4-9(6-10)15-12-7-11(14)16-13(17-12)8-2-3-8/h7-10H,2-6H2,1H3,(H3,14,15,16,17)
InChIKeyIFCXQYCEEQTNAS-UHFFFAOYSA-N
XLogP2.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103880252
4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 114541902
6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
CID 114124181
5-methyl-N-(3-methylsulfanylcyclopentyl)pyridin-2-amine
CID 103704113
2-cyclopropyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine
CID 80958381
3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine
CID 114124115
2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778341
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103704181
6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile
CID 103704177
3-methyl-N-(3-methylsulfanylcyclopentyl)quinoxalin-2-amine
CID 103704143
2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 53214520

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine (CID 114124123) is 2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine is CSC1CCC(Nc2cc(N)nc(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine?
The InChIKey is IFCXQYCEEQTNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-18-10-5-4-9(6-10)15-12-7-11(14)16-13(17-12)8-2-3-8/h7-10H,2-6H2,1H3,(H3,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114124123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).