N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine

C12H19N3S — CID 103725083

IUPACN-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
SMILESCCSC1CCCC1Nc1nccc(C)n1
InChIInChI=1S/C12H19N3S/c1-3-16-11-6-4-5-10(11)15-12-13-8-7-9(2)14-12/h7-8,10-11H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyQROISXZZXMYYPT-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.87
Rot. Bonds4

About N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine

N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine (PubChem CID 103725083) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
PubChem CID103725083
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
SMILESCCSC1CCCC1Nc1nccc(C)n1
InChIInChI=1S/C12H19N3S/c1-3-16-11-6-4-5-10(11)15-12-13-8-7-9(2)14-12/h7-8,10-11H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyQROISXZZXMYYPT-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103703993
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 103725102
N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103704805
2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine
CID 103804841
N-[(3aR,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-4-methylpyrimidin-2-amine
CID 97226307
4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114122169
4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
CID 114122138
2-N-ethyl-6-N-(2-ethylsulfanylcyclopentyl)pyridine-2,6-diamine
CID 114122162
5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 114122167
3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine
CID 124679598
4-methyl-N-(2-methylthiolan-3-yl)pyrimidin-2-amine
CID 131114290

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine (CID 103725083) is N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine is CCSC1CCCC1Nc1nccc(C)n1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine?
The InChIKey is QROISXZZXMYYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-3-16-11-6-4-5-10(11)15-12-13-8-7-9(2)14-12/h7-8,10-11H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine?
N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine has a molecular weight of 237.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 103725083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).