4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one

C21H22N6O — CID 10199417

IUPAC4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one
SMILESCN(C)Cc1ccc(-c2cc3c(NCc4cc[nH]c(=O)c4)ncnc3[nH]2)cc1
InChIInChI=1S/C21H22N6O/c1-27(2)12-14-3-5-16(6-4-14)18-10-17-20(24-13-25-21(17)26-18)23-11-15-7-8-22-19(28)9-15/h3-10,13H,11-12H2,1-2H3,(H,22,28)(H2,23,24,25,26)
InChIKeyJMURKSSONHBBJJ-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.99
Rot. Bonds6

About 4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one

4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one (PubChem CID 10199417) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one
PubChem CID10199417
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one
SMILESCN(C)Cc1ccc(-c2cc3c(NCc4cc[nH]c(=O)c4)ncnc3[nH]2)cc1
InChIInChI=1S/C21H22N6O/c1-27(2)12-14-3-5-16(6-4-14)18-10-17-20(24-13-25-21(17)26-18)23-11-15-7-8-22-19(28)9-15/h3-10,13H,11-12H2,1-2H3,(H,22,28)(H2,23,24,25,26)
InChIKeyJMURKSSONHBBJJ-UHFFFAOYSA-N
XLogP2.99
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one 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

6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69180833
4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
CID 56934984
6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(3-methylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10297042
6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69180851
N-[(3-chlorophenyl)methyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69182351
6-[[4-[4-(benzylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methylamino]-N-hydroxyhexanamide
CID 143645364
6-[4-[4-(benzylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]anilino]hexanamide
CID 143645665
6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 143082694
4-[4-(benzylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzaldehyde;2-[2-(methylamino)ethylamino]acetaldehyde;N-methylhydroxylamine
CID 143645374
N,N-dimethyl-1-[4-[4-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine
CID 46885677
N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 76848852
6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10155284

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one (CID 10199417) is 4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one is CN(C)Cc1ccc(-c2cc3c(NCc4cc[nH]c(=O)c4)ncnc3[nH]2)cc1.
What is the InChIKey of 4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one?
The InChIKey is JMURKSSONHBBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-27(2)12-14-3-5-16(6-4-14)18-10-17-20(24-13-25-21(17)26-18)23-11-15-7-8-22-19(28)9-15/h3-10,13H,11-12H2,1-2H3,(H,22,28)(H2,23,24,25,26).
What are the key properties of 4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one?
4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one has a molecular weight of 374.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 10199417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).