3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine

C12H19ClN4 — CID 83112048

IUPAC3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine
SMILESCN(C)C1(CNc2nccnc2Cl)CCCC1
InChIInChI=1S/C12H19ClN4/c1-17(2)12(5-3-4-6-12)9-16-11-10(13)14-7-8-15-11/h7-8H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyNYFVUSGLNOZXON-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.42
Rot. Bonds4

About 3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine

3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine (PubChem CID 83112048) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine
PubChem CID83112048
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine
SMILESCN(C)C1(CNc2nccnc2Cl)CCCC1
InChIInChI=1S/C12H19ClN4/c1-17(2)12(5-3-4-6-12)9-16-11-10(13)14-7-8-15-11/h7-8H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyNYFVUSGLNOZXON-UHFFFAOYSA-N
XLogP2.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine
CID 83113894
1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 65108811
1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122500
4-chloro-6-[[1-(dimethylamino)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde
CID 105419815
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine
CID 80703179
3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one
CID 83113978
3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine
CID 102759502
4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine
CID 105419814
2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide
CID 83121322
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 105419005
2-[1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114757217
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,2,4-thiadiazol-5-amine
CID 82712959

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine (CID 83112048) is 3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine is CN(C)C1(CNc2nccnc2Cl)CCCC1.
What is the InChIKey of 3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine?
The InChIKey is NYFVUSGLNOZXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-17(2)12(5-3-4-6-12)9-16-11-10(13)14-7-8-15-11/h7-8H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine?
3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine has a molecular weight of 254.76 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine is sourced from PubChem (CID 83112048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).