6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine

C13H18ClN3S — CID 103880252

IUPAC6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
SMILESCSC1CCC(Nc2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C13H18ClN3S/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,(H,15,16,17)
InChIKeyYLKLKACDDKGRBN-UHFFFAOYSA-N
MW283.83 g/mol
LogP3.70
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine (PubChem CID 103880252) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
PubChem CID103880252
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC Name6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
SMILESCSC1CCC(Nc2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C13H18ClN3S/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,(H,15,16,17)
InChIKeyYLKLKACDDKGRBN-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
CID 114124123
6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
CID 80951663
6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine
CID 133421904
ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 133420616
6-chloro-2-cyclopropyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 82463101
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
3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine
CID 114124115
6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine
CID 103880293
1-[4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133418296
2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778341
6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine
CID 115875734

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine (CID 103880252) is 6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine is CSC1CCC(Nc2cc(Cl)nc(C3CC3)n2)C1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine?
The InChIKey is YLKLKACDDKGRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S/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,(H,15,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine has a molecular weight of 283.83 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine is sourced from PubChem (CID 103880252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).