4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide

C23H22N8O2 — CID 73057746

IUPAC4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2)cc1
InChIInChI=1S/C23H22N8O2/c1-25-22(32)15-4-2-14(3-5-15)16-10-18-19(26-11-16)21(31-6-8-33-9-7-31)30-20(29-18)17-12-27-23(24)28-13-17/h2-5,10-13H,6-9H2,1H3,(H,25,32)(H2,24,27,28)
InChIKeyJRJNGPZGYXWRCY-UHFFFAOYSA-N
MW442.48 g/mol
LogP1.93
Rot. Bonds4

About 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide

4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide (PubChem CID 73057746) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide
PubChem CID73057746
Molecular FormulaC23H22N8O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2)cc1
InChIInChI=1S/C23H22N8O2/c1-25-22(32)15-4-2-14(3-5-15)16-10-18-19(26-11-16)21(31-6-8-33-9-7-31)30-20(29-18)17-12-27-23(24)28-13-17/h2-5,10-13H,6-9H2,1H3,(H,25,32)(H2,24,27,28)
InChIKeyJRJNGPZGYXWRCY-UHFFFAOYSA-N
XLogP1.93
TPSA132.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide 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

1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]phenyl]-3,3-dimethylbutan-2-one
CID 161430959
N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]phenyl]-2-fluoropropanamide
CID 73053951
N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-4-fluorophenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 73055948
5-[7-[3-(cyclopropylsulfonylmethyl)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 161224030
N-[4-[[4-[7-(2-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67514586
4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 57334276
4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide
CID 68915299
1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 161161749
5-(6-cyclopropyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 58405017
5-(4-morpholin-4-yl-6-propan-2-yloxypyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 53377951
N-methyl-1-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)methanamine
CID 118243086
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 58233954

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide?
The IUPAC name of 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide (CID 73057746) is 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide?
The canonical SMILES for 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cnc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2)cc1.
What is the InChIKey of 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide?
The InChIKey is JRJNGPZGYXWRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c1-25-22(32)15-4-2-14(3-5-15)16-10-18-19(26-11-16)21(31-6-8-33-9-7-31)30-20(29-18)17-12-27-23(24)28-13-17/h2-5,10-13H,6-9H2,1H3,(H,25,32)(H2,24,27,28).
What are the key properties of 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide?
4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide has a molecular weight of 442.48 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide is sourced from PubChem (CID 73057746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).