N-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride

C17H19ClN4 — CID 20541250

IUPACN-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride
SMILESCN(C1=NC2CCCc3cccc(c32)N1)c1ccncc1.Cl
InChIInChI=1S/C17H18N4.ClH/c1-21(13-8-10-18-11-9-13)17-19-14-6-2-4-12-5-3-7-15(20-17)16(12)14;/h2,4,6,8-11,15H,3,5,7H2,1H3,(H,19,20);1H
InChIKeyJALISBCGOYXLDZ-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.80
Rot. Bonds1

About N-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride

N-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride (PubChem CID 20541250) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is N-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride
PubChem CID20541250
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC NameN-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride
SMILESCN(C1=NC2CCCc3cccc(c32)N1)c1ccncc1.Cl
InChIInChI=1S/C17H18N4.ClH/c1-21(13-8-10-18-11-9-13)17-19-14-6-2-4-12-5-3-7-15(20-17)16(12)14;/h2,4,6,8-11,15H,3,5,7H2,1H3,(H,19,20);1H
InChIKeyJALISBCGOYXLDZ-UHFFFAOYSA-N
XLogP3.80
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride 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

A804598
CID 53325874
2-Pyridin-3-yl-2,3-dihydro-1H-perimidine
CID 256661
2-Pyridin-4-yl-2,3-dihydro-1H-perimidine
CID 687529
5-Methyl-6-[(1-naphthylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 456205
5-Methyl-6-[(tetralin-5-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 457353
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393091
2-N-[2-(4-fluorophenyl)ethyl]-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine
CID 44393092
N-cyano-N'-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]pyridine-2-carboximidamide
CID 56971030
N'-(2,3-dimethylphenyl)-N-isopropyl-N-(2-pyridin-4-ylethyl)thiourea
CID 3456697
[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-pyridin-4-yl]-methyl-amine
CID 9813501
2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)pyridin-4-amine
CID 9855978
[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-pyridin-4-yl]-dimethyl-amine
CID 9921303

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride?
The IUPAC name of N-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride (CID 20541250) is N-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride?
The canonical SMILES for N-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride is CN(C1=NC2CCCc3cccc(c32)N1)c1ccncc1.Cl.
What is the InChIKey of N-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride?
The InChIKey is JALISBCGOYXLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4.ClH/c1-21(13-8-10-18-11-9-13)17-19-14-6-2-4-12-5-3-7-15(20-17)16(12)14;/h2,4,6,8-11,15H,3,5,7H2,1H3,(H,19,20);1H.
What are the key properties of N-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride?
N-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-4-yl-3a,4,5,6-tetrahydro-1H-perimidin-2-amine;hydrochloride is sourced from PubChem (CID 20541250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).