3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol

C21H25N7O — CID 170013460

IUPAC3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol
SMILESC/N=C/c1cc(-c2ncc3cc(N4CCC(NC)C4)cnc3n2)c(O)c(C)c1N
InChIInChI=1S/C21H25N7O/c1-12-18(22)13(8-23-2)7-17(19(12)29)21-25-9-14-6-16(10-26-20(14)27-21)28-5-4-15(11-28)24-3/h6-10,15,24,29H,4-5,11,22H2,1-3H3/b23-8+
InChIKeyIFFJVYAWGSCYOI-LIMNOBDPSA-N
MW391.48 g/mol
LogP2.13
Rot. Bonds4

About 3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol

3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol (PubChem CID 170013460) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol.

Molecular Properties

Compound Name3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol
PubChem CID170013460
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol
SMILESC/N=C/c1cc(-c2ncc3cc(N4CCC(NC)C4)cnc3n2)c(O)c(C)c1N
InChIInChI=1S/C21H25N7O/c1-12-18(22)13(8-23-2)7-17(19(12)29)21-25-9-14-6-16(10-26-20(14)27-21)28-5-4-15(11-28)24-3/h6-10,15,24,29H,4-5,11,22H2,1-3H3/b23-8+
InChIKeyIFFJVYAWGSCYOI-LIMNOBDPSA-N
XLogP2.13
TPSA112.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol 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

2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride
CID 168978903
3-amino-6-[6-[3-[4-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-6-methylpiperazin-2-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-2-methyl-4-(methyliminomethyl)phenol;ethane
CID 168978591
2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol
CID 168978404
2-[4-amino-2-hydroxy-3-methyl-5-(methyliminomethyl)phenyl]-N-ethyl-6-piperazin-1-ylquinazoline-4-carboxamide;2,8-dimethyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]-1H-imidazo[1,2-a]pyridin-7-one;ethane
CID 168977513
1-[7-[4-amino-2-methoxy-5-(methyliminomethyl)phenyl]-1,8-naphthyridin-3-yl]-N-tert-butylpyrrolidin-3-amine
CID 170013676
N-methyl-1-(5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 107585704
5-[8-chloro-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
CID 168978277
N-methyl-1-(5-methyl-3-pyridinyl)piperidin-3-amine
CID 107586864
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499
N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine
CID 151731068
1-(3,5-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60862129
tert-butyl N-[(3R)-1-[2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[2,3-d]pyrimidin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 168978554

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol?
The IUPAC name of 3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol (CID 170013460) is 3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol.
What is the SMILES notation for 3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol?
The canonical SMILES for 3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol is C/N=C/c1cc(-c2ncc3cc(N4CCC(NC)C4)cnc3n2)c(O)c(C)c1N.
What is the InChIKey of 3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol?
The InChIKey is IFFJVYAWGSCYOI-LIMNOBDPSA-N. The full InChI is InChI=1S/C21H25N7O/c1-12-18(22)13(8-23-2)7-17(19(12)29)21-25-9-14-6-16(10-26-20(14)27-21)28-5-4-15(11-28)24-3/h6-10,15,24,29H,4-5,11,22H2,1-3H3/b23-8+.
What are the key properties of 3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol?
3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol has a molecular weight of 391.48 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]-4-(methyliminomethyl)phenol is sourced from PubChem (CID 170013460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).