3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine

C13H20ClN3 — CID 107420127

IUPAC3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine
SMILESCc1nc(Cl)c(NCC2CCCC2C)nc1C
InChIInChI=1S/C13H20ClN3/c1-8-5-4-6-11(8)7-15-13-12(14)16-9(2)10(3)17-13/h8,11H,4-7H2,1-3H3,(H,15,17)
InChIKeyWIKJABIXZJFFRF-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.59
Rot. Bonds3

About 3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine

3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine (PubChem CID 107420127) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine
PubChem CID107420127
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine
SMILESCc1nc(Cl)c(NCC2CCCC2C)nc1C
InChIInChI=1S/C13H20ClN3/c1-8-5-4-6-11(8)7-15-13-12(14)16-9(2)10(3)17-13/h8,11H,4-7H2,1-3H3,(H,15,17)
InChIKeyWIKJABIXZJFFRF-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
CID 114044015
3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 102750821
3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine
CID 107421190
6-chloro-2-ethyl-5-methyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972304
3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 106028253
6-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,3-diamine
CID 107416531
5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419339
2-tert-butyl-6-hydrazinyl-5-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421345
6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 107421253
3-methyl-N-[(2-methylcyclopentyl)methyl]quinolin-2-amine
CID 107419147
6-hydrazinyl-5-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421319
4-methyl-N-[(2-methylcyclohexyl)methyl]phthalazin-1-amine
CID 63541033

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine (CID 107420127) is 3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine is Cc1nc(Cl)c(NCC2CCCC2C)nc1C.
What is the InChIKey of 3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine?
The InChIKey is WIKJABIXZJFFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-8-5-4-6-11(8)7-15-13-12(14)16-9(2)10(3)17-13/h8,11H,4-7H2,1-3H3,(H,15,17).
What are the key properties of 3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine?
3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine has a molecular weight of 253.78 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 107420127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).