N,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine

C16H27N5 — CID 134690397

IUPACN,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine
SMILESCc1cnc(N2CCC3C(C[C@@H](CN(C)C)N3C)C2)nc1
InChIInChI=1S/C16H27N5/c1-12-8-17-16(18-9-12)21-6-5-15-13(10-21)7-14(20(15)4)11-19(2)3/h8-9,13-15H,5-7,10-11H2,1-4H3/t13?,14-,15?/m0/s1
InChIKeyFWBKCJXYNHBONW-SLTAFYQDSA-N
MW289.43 g/mol
LogP1.25
Rot. Bonds3

About N,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine

N,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine (PubChem CID 134690397) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine
PubChem CID134690397
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine
SMILESCc1cnc(N2CCC3C(C[C@@H](CN(C)C)N3C)C2)nc1
InChIInChI=1S/C16H27N5/c1-12-8-17-16(18-9-12)21-6-5-15-13(10-21)7-14(20(15)4)11-19(2)3/h8-9,13-15H,5-7,10-11H2,1-4H3/t13?,14-,15?/m0/s1
InChIKeyFWBKCJXYNHBONW-SLTAFYQDSA-N
XLogP1.25
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine 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

2-[4-(4-Cyclohexyl-butyl)-piperazin-1-yl]-5-fluoro-pyrimidine
CID 15729908
2-[4-(3-Methylcyclopentyl)piperazin-1-yl]pyrimidine
CID 2845194
7-(Cyclobutylmethyl)-2-[(2-methyl-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45193840
7-(Cyclobutylmethyl)-2-[(2-methoxy-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45229858
9-(Cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45239115
7-(Cyclobutylmethyl)-2-[(2-ethyl-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45252850
5-{[3-(1-Piperidinylmethyl)-1-piperidinyl]methyl}-2-(1-pyrrolidinyl)pyrimidine
CID 70744725
5-{[rel-(3R,4S)-3-amino-4-cyclopropyl-1-pyrrolidinyl]methyl}-N-ethyl-2-pyrimidinamine dihydrochloride
CID 72860282
(3S*,4R*)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]-4-isopropyl-N,N-dimethylpyrrolidin-3-amine
CID 72898877
5-{[rel-(3R,4S)-3-amino-4-cyclopropyl-1-pyrrolidinyl]methyl}-2-pyrimidinamine dihydrochloride
CID 72907839
2-Methyl-8-(5-methylpyrimidin-2-YL)-2,8-diazaspiro[5.5]undecane
CID 72936007
(3aS,7aS)-5-(cyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97402618

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine (CID 134690397) is N,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine is Cc1cnc(N2CCC3C(C[C@@H](CN(C)C)N3C)C2)nc1.
What is the InChIKey of N,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine?
The InChIKey is FWBKCJXYNHBONW-SLTAFYQDSA-N. The full InChI is InChI=1S/C16H27N5/c1-12-8-17-16(18-9-12)21-6-5-15-13(10-21)7-14(20(15)4)11-19(2)3/h8-9,13-15H,5-7,10-11H2,1-4H3/t13?,14-,15?/m0/s1.
What are the key properties of N,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine?
N,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine has a molecular weight of 289.43 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2S)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]methanamine is sourced from PubChem (CID 134690397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).