4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine

C23H29N5 — CID 112936116

IUPAC4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1ccc(C)c(Nc2nc(NCCCN(C)C)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H29N5/c1-17-11-12-18(2)20(15-17)25-23-26-21(19-9-6-5-7-10-19)16-22(27-23)24-13-8-14-28(3)4/h5-7,9-12,15-16H,8,13-14H2,1-4H3,(H2,24,25,26,27)
InChIKeyXRIGPIMPXYSJNL-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.87
Rot. Bonds8

About 4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine

4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112936116) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112936116
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1ccc(C)c(Nc2nc(NCCCN(C)C)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H29N5/c1-17-11-12-18(2)20(15-17)25-23-26-21(19-9-6-5-7-10-19)16-22(27-23)24-13-8-14-28(3)4/h5-7,9-12,15-16H,8,13-14H2,1-4H3,(H2,24,25,26,27)
InChIKeyXRIGPIMPXYSJNL-UHFFFAOYSA-N
XLogP4.87
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-chloro-4-methylphenyl)-4-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112936136
4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935835
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 23652592
4-N-[3-(dimethylamino)propyl]-2-N-(4-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936129
4-N-[3-(dimethylamino)propyl]-2-N-(3-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936139
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935861
2-N-(2,5-dimethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937128
4-N-[2-(dimethylamino)ethyl]-2-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935842
2-N-[3-(dimethylamino)propyl]-4-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112936165
4-N-[2-(dimethylamino)ethyl]-2-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935869
2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935950
4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112935791

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine (CID 112936116) is 4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine is Cc1ccc(C)c(Nc2nc(NCCCN(C)C)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is XRIGPIMPXYSJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-17-11-12-18(2)20(15-17)25-23-26-21(19-9-6-5-7-10-19)16-22(27-23)24-13-8-14-28(3)4/h5-7,9-12,15-16H,8,13-14H2,1-4H3,(H2,24,25,26,27).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 375.52 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112936116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).