4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide

C21H23N7O2 — CID 42613285

IUPAC4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H23N7O2/c1-27(2)19(29)15-5-3-14(4-6-15)17-11-18(16-12-23-20(22)24-13-16)26-21(25-17)28-7-9-30-10-8-28/h3-6,11-13H,7-10H2,1-2H3,(H2,22,23,24)
InChIKeyVRPBQIOCJMZLAQ-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.72
Rot. Bonds4

About 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide

4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide (PubChem CID 42613285) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
PubChem CID42613285
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H23N7O2/c1-27(2)19(29)15-5-3-14(4-6-15)17-11-18(16-12-23-20(22)24-13-16)26-21(25-17)28-7-9-30-10-8-28/h3-6,11-13H,7-10H2,1-2H3,(H2,22,23,24)
InChIKeyVRPBQIOCJMZLAQ-UHFFFAOYSA-N
XLogP1.72
TPSA110.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide 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-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-1,3,3-trimethylurea
CID 118637874
5-[6-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 42613997
N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide
CID 118638087
2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide
CID 42613361
5-[6-(methoxymethyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 71012387
6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 42613650
5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 59507831
(2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide
CID 118638278
5-[6-[4-[(dimethylamino)methyl]phenoxy]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 42613036
N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide
CID 118637862
2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane
CID 145100338
6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507485

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide (CID 42613285) is 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide?
The InChIKey is VRPBQIOCJMZLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-27(2)19(29)15-5-3-14(4-6-15)17-11-18(16-12-23-20(22)24-13-16)26-21(25-17)28-7-9-30-10-8-28/h3-6,11-13H,7-10H2,1-2H3,(H2,22,23,24).
What are the key properties of 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide?
4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide has a molecular weight of 405.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 42613285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).