4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine

C21H25N5 — CID 112935835

IUPAC4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(NCCN(C)C)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H25N5/c1-16-9-11-18(12-10-16)23-21-24-19(17-7-5-4-6-8-17)15-20(25-21)22-13-14-26(2)3/h4-12,15H,13-14H2,1-3H3,(H2,22,23,24,25)
InChIKeyNWJDEKKSSPCXJV-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.17
Rot. Bonds7

About 4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine

4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112935835) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112935835
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(NCCN(C)C)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H25N5/c1-16-9-11-18(12-10-16)23-21-24-19(17-7-5-4-6-8-17)15-20(25-21)22-13-14-26(2)3/h4-12,15H,13-14H2,1-3H3,(H2,22,23,24,25)
InChIKeyNWJDEKKSSPCXJV-UHFFFAOYSA-N
XLogP4.17
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-2-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935842
2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935858
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112912839
4-N-[3-(dimethylamino)propyl]-2-N-(4-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936129
4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935970
2-N-[2-(dimethylamino)ethyl]-4-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935959
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-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112935791
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936116
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935861
4-N-[2-(dimethylamino)ethyl]-2-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935869
4-N-[3-(dimethylamino)propyl]-2-N-(3-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936139

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine (CID 112935835) is 4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine is Cc1ccc(Nc2nc(NCCN(C)C)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is NWJDEKKSSPCXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-9-11-18(12-10-16)23-21-24-19(17-7-5-4-6-8-17)15-20(25-21)22-13-14-26(2)3/h4-12,15H,13-14H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 347.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112935835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).