N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine

C16H19ClN4 — CID 131197683

IUPACN-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine
SMILESCC1CC(Nc2nccnc2Cl)CN1Cc1ccccc1
InChIInChI=1S/C16H19ClN4/c1-12-9-14(20-16-15(17)18-7-8-19-16)11-21(12)10-13-5-3-2-4-6-13/h2-8,12,14H,9-11H2,1H3,(H,19,20)
InChIKeyCXTBSIXBYXUHNU-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.20
Rot. Bonds4

About N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine

N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine (PubChem CID 131197683) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine
PubChem CID131197683
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC NameN-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine
SMILESCC1CC(Nc2nccnc2Cl)CN1Cc1ccccc1
InChIInChI=1S/C16H19ClN4/c1-12-9-14(20-16-15(17)18-7-8-19-16)11-21(12)10-13-5-3-2-4-6-13/h2-8,12,14H,9-11H2,1H3,(H,19,20)
InChIKeyCXTBSIXBYXUHNU-UHFFFAOYSA-N
XLogP3.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine
CID 131008130
2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine
CID 131097771
1-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]isoquinoline-5-sulfonamide
CID 167761428
N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine
CID 130164851
1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine
CID 130528224
N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine
CID 130857368
N-(1-benzyl-5-methylpyrrolidin-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 131171404
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine
CID 130528313
N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide
CID 112742796
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine?
The IUPAC name of N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine (CID 131197683) is N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine.
What is the SMILES notation for N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine?
The canonical SMILES for N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine is CC1CC(Nc2nccnc2Cl)CN1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine?
The InChIKey is CXTBSIXBYXUHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-12-9-14(20-16-15(17)18-7-8-19-16)11-21(12)10-13-5-3-2-4-6-13/h2-8,12,14H,9-11H2,1H3,(H,19,20).
What are the key properties of N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine?
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine has a molecular weight of 302.81 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine is sourced from PubChem (CID 131197683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).