6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine

C18H18ClN5 — CID 19147870

IUPAC6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccccc1Nc1ncnc(NCc2ccccc2Cl)c1N
InChIInChI=1S/C18H18ClN5/c1-12-6-2-5-9-15(12)24-18-16(20)17(22-11-23-18)21-10-13-7-3-4-8-14(13)19/h2-9,11H,10,20H2,1H3,(H2,21,22,23,24)
InChIKeyVLPNSPGZGOOTSX-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.38
Rot. Bonds5

About 6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine

6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19147870) has the molecular formula C18H18ClN5 and a molecular weight of 339.83 g/mol. Its IUPAC name is 6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID19147870
Molecular FormulaC18H18ClN5
Molecular Weight339.83 g/mol
Exact Mass339.13
IUPAC Name6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccccc1Nc1ncnc(NCc2ccccc2Cl)c1N
InChIInChI=1S/C18H18ClN5/c1-12-6-2-5-9-15(12)24-18-16(20)17(22-11-23-18)21-10-13-7-3-4-8-14(13)19/h2-9,11H,10,20H2,1H3,(H2,21,22,23,24)
InChIKeyVLPNSPGZGOOTSX-UHFFFAOYSA-N
XLogP4.38
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147805
6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146799
6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152879
4-N-[(2-chlorophenyl)methyl]-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145647
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19137045
4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
CID 19135528
6-N-[(2-chlorophenyl)methyl]-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142949
4-N-(4-bromophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19148860
4-N-[(2-chlorophenyl)methyl]-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19150506
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147842

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine (CID 19147870) is 6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine is Cc1ccccc1Nc1ncnc(NCc2ccccc2Cl)c1N.
What is the InChIKey of 6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is VLPNSPGZGOOTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5/c1-12-6-2-5-9-15(12)24-18-16(20)17(22-11-23-18)21-10-13-7-3-4-8-14(13)19/h2-9,11H,10,20H2,1H3,(H2,21,22,23,24).
What are the key properties of 6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 339.83 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19147870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).