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

C24H30N8 — CID 46952503

IUPAC6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCN(C)c1nc2c(c(N3CCN(c4ncccn4)CC3)n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C24H30N8/c1-29(2)24-27-21-9-12-30(17-19-7-4-3-5-8-19)18-20(21)22(28-24)31-13-15-32(16-14-31)23-25-10-6-11-26-23/h3-8,10-11H,9,12-18H2,1-2H3
InChIKeyWPAKNYWVLZBGMD-UHFFFAOYSA-N
MW430.56 g/mol
LogP2.22
Rot. Bonds5

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

6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 46952503) has the molecular formula C24H30N8 and a molecular weight of 430.56 g/mol. Its IUPAC name is 6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID46952503
Molecular FormulaC24H30N8
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC Name6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCN(C)c1nc2c(c(N3CCN(c4ncccn4)CC3)n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C24H30N8/c1-29(2)24-27-21-9-12-30(17-19-7-4-3-5-8-19)18-20(21)22(28-24)31-13-15-32(16-14-31)23-25-10-6-11-26-23/h3-8,10-11H,9,12-18H2,1-2H3
InChIKeyWPAKNYWVLZBGMD-UHFFFAOYSA-N
XLogP2.22
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 56889598
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
1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 56884871
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
N-benzyl-N-methyl-6-[(4-nitrophenyl)methyl]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 42870528
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
6-benzyl-2-chloro-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 42870418
6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 81217160
1-[2-(dimethylamino)-6-[(5-methyl-1H-imidazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 56902374
6-benzyl-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46959524
4-(azepan-1-yl)-6-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 5260975

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 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) is 6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is CN(C)c1nc2c(c(N3CCN(c4ncccn4)CC3)n1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is WPAKNYWVLZBGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8/c1-29(2)24-27-21-9-12-30(17-19-7-4-3-5-8-19)18-20(21)22(28-24)31-13-15-32(16-14-31)23-25-10-6-11-26-23/h3-8,10-11H,9,12-18H2,1-2H3.
What are the key properties of 6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 430.56 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 46952503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).