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

C13H21N3 — CID 107414033

IUPAC5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine
SMILESCc1ncc(NCC2CCC(C)C2)nc1C
InChIInChI=1S/C13H21N3/c1-9-4-5-12(6-9)7-15-13-8-14-10(2)11(3)16-13/h8-9,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyKTLSACOBIXBITO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.94
Rot. Bonds3

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

5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine (PubChem CID 107414033) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine
PubChem CID107414033
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine
SMILESCc1ncc(NCC2CCC(C)C2)nc1C
InChIInChI=1S/C13H21N3/c1-9-4-5-12(6-9)7-15-13-8-14-10(2)11(3)16-13/h8-9,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyKTLSACOBIXBITO-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine
CID 106126001
4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130416
6-N-ethyl-2-N-[(3-methylcyclopentyl)methyl]pyrazine-2,6-diamine
CID 107415935
4-methyl-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413738
5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 107413331
5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 114475438
N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475447
6-methyl-N-[(3-methylcyclopentyl)methyl]pyridazin-3-amine
CID 107414004
2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414764
6-hydrazinyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 107416016
2-cyclopropyl-6-N-ethyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107415826
N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine
CID 114475372

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine?
The IUPAC name of 5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine (CID 107414033) is 5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine?
The canonical SMILES for 5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine is Cc1ncc(NCC2CCC(C)C2)nc1C.
What is the InChIKey of 5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine?
The InChIKey is KTLSACOBIXBITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-4-5-12(6-9)7-15-13-8-14-10(2)11(3)16-13/h8-9,12H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine?
5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 107414033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).