N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine

C13H21N3S — CID 113244238

IUPACN-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine
SMILESCCSC1CCC(Nc2cc(C)nc(C)n2)C1
InChIInChI=1S/C13H21N3S/c1-4-17-12-6-5-11(8-12)16-13-7-9(2)14-10(3)15-13/h7,11-12H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyCMOXAZWEDPFWHA-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.18
Rot. Bonds4

About N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine

N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine (PubChem CID 113244238) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine
PubChem CID113244238
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine
SMILESCCSC1CCC(Nc2cc(C)nc(C)n2)C1
InChIInChI=1S/C13H21N3S/c1-4-17-12-6-5-11(8-12)16-13-7-9(2)14-10(3)15-13/h7,11-12H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyCMOXAZWEDPFWHA-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylsulfanylcyclopentyl)-2-methylpyrimidin-4-amine
CID 103704839
6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
CID 114124181
N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103704805
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine
CID 103704828
6-chloro-N-(3-ethylsulfanylcyclopentyl)-4-nitropyridin-2-amine
CID 103888843
N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine
CID 114124106
[(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide
CID 146105507
2,6-dimethyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine
CID 103889229
N-(3-ethylsulfanylcyclopentyl)-5-nitropyridin-2-amine
CID 113244226
N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine
CID 103704778
5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103724876
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103704815

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine (CID 113244238) is N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine is CCSC1CCC(Nc2cc(C)nc(C)n2)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine?
The InChIKey is CMOXAZWEDPFWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-4-17-12-6-5-11(8-12)16-13-7-9(2)14-10(3)15-13/h7,11-12H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine?
N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine has a molecular weight of 251.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 113244238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).