4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine

C19H21N7 — CID 89329417

IUPAC4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine
SMILES[H]/N=C/c1cc(Nc2ccnc(N)n2)cc(-c2cccc(CN)c2)c1NC
InChIInChI=1S/C19H21N7/c1-23-18-14(11-21)8-15(25-17-5-6-24-19(22)26-17)9-16(18)13-4-2-3-12(7-13)10-20/h2-9,11,21,23H,10,20H2,1H3,(H3,22,24,25,26)/b21-11+
InChIKeyOKGJEOYHGJFWPC-SRZZPIQSSA-N
MW347.43 g/mol
LogP2.97
Rot. Bonds6

About 4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine

4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine (PubChem CID 89329417) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine
PubChem CID89329417
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine
SMILES[H]/N=C/c1cc(Nc2ccnc(N)n2)cc(-c2cccc(CN)c2)c1NC
InChIInChI=1S/C19H21N7/c1-23-18-14(11-21)8-15(25-17-5-6-24-19(22)26-17)9-16(18)13-4-2-3-12(7-13)10-20/h2-9,11,21,23H,10,20H2,1H3,(H3,22,24,25,26)/b21-11+
InChIKeyOKGJEOYHGJFWPC-SRZZPIQSSA-N
XLogP2.97
TPSA125.73 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine 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

4-N-[4-amino-3-(4-fluoro-3-methylphenyl)-5-methanimidoylphenyl]pyrimidine-2,4-diamine
CID 143557319
(E)-4-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-methanimidoylphenyl]but-3-en-1-ol
CID 143557640
4-N-[4-amino-3-[3-(dimethylamino)prop-1-ynyl]-5-methanimidoylphenyl]pyrimidine-2,4-diamine
CID 143557614
4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine
CID 143557825
acetic acid;4-N-[7-[3-(methylsulfonylmethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 159948025
4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 158119091
4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline
CID 166139659
4-N-[4-amino-3-(3-methylbenzenecarboximidoyl)phenyl]pyrimidine-2,4-diamine
CID 143557530
4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine
CID 58393152
4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 159350665
4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 174921115
5-[(2-aminopyrimidin-4-yl)amino]isoindole-1,3-dione
CID 80760234

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine (CID 89329417) is 4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine is [H]/N=C/c1cc(Nc2ccnc(N)n2)cc(-c2cccc(CN)c2)c1NC.
What is the InChIKey of 4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine?
The InChIKey is OKGJEOYHGJFWPC-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H21N7/c1-23-18-14(11-21)8-15(25-17-5-6-24-19(22)26-17)9-16(18)13-4-2-3-12(7-13)10-20/h2-9,11,21,23H,10,20H2,1H3,(H3,22,24,25,26)/b21-11+.
What are the key properties of 4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine?
4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine has a molecular weight of 347.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 89329417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).