4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

C24H34N6 — CID 110214349

IUPAC4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCN(C)c1nc2c(c(N3CCN4CCCCC4C3)n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C24H34N6/c1-27(2)24-25-22-18-28(16-19-8-4-3-5-9-19)13-11-21(22)23(26-24)30-15-14-29-12-7-6-10-20(29)17-30/h3-5,8-9,20H,6-7,10-18H2,1-2H3
InChIKeyGISSPALQOXUHJM-UHFFFAOYSA-N
MW406.58 g/mol
LogP2.78
Rot. Bonds4

About 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 110214349) has the molecular formula C24H34N6 and a molecular weight of 406.58 g/mol. Its IUPAC name is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
PubChem CID110214349
Molecular FormulaC24H34N6
Molecular Weight406.58 g/mol
Exact Mass406.28
IUPAC Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCN(C)c1nc2c(c(N3CCN4CCCCC4C3)n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C24H34N6/c1-27(2)24-25-22-18-28(16-19-8-4-3-5-9-19)13-11-21(22)23(26-24)30-15-14-29-12-7-6-10-20(29)17-30/h3-5,8-9,20H,6-7,10-18H2,1-2H3
InChIKeyGISSPALQOXUHJM-UHFFFAOYSA-N
XLogP2.78
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-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

7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 71554424
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46952503
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 46953773
1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 92565033
6-benzyl-4-N,4-N-diethyl-2-N,2-N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 91800555
4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-methoxycarbonylpiperazine-1-carboxylic acid
CID 155124592
1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 56889598
4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24797903
N,N-dimethyl-5-[(2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidin-2-amine
CID 46961574
4-(azepan-1-yl)-N-[(3R)-1-benzylazepan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 66904684

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (CID 110214349) is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is CN(C)c1nc2c(c(N3CCN4CCCCC4C3)n1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is GISSPALQOXUHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6/c1-27(2)24-25-22-18-28(16-19-8-4-3-5-9-19)13-11-21(22)23(26-24)30-15-14-29-12-7-6-10-20(29)17-30/h3-5,8-9,20H,6-7,10-18H2,1-2H3.
What are the key properties of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 406.58 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-7-benzyl-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 110214349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).