4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine

C19H21N5 — CID 22547055

IUPAC4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(Nc3cc(C)ccc3C)c2N)cc1
InChIInChI=1S/C19H21N5/c1-12-5-8-15(9-6-12)23-18-17(20)19(22-11-21-18)24-16-10-13(2)4-7-14(16)3/h4-11H,20H2,1-3H3,(H2,21,22,23,24)
InChIKeyLLDRVOOIGJOLME-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.47
Rot. Bonds4

About 4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine

4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22547055) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22547055
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(Nc3cc(C)ccc3C)c2N)cc1
InChIInChI=1S/C19H21N5/c1-12-5-8-15(9-6-12)23-18-17(20)19(22-11-21-18)24-16-10-13(2)4-7-14(16)3/h4-11H,20H2,1-3H3,(H2,21,22,23,24)
InChIKeyLLDRVOOIGJOLME-UHFFFAOYSA-N
XLogP4.47
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(4-bromophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547057
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
6-N-(3,5-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22544886
6-N-(4-butoxyphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547012
6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547049
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547040
6-N-(2,5-dimethylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22547046
4-N-(5-chloro-2-methylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22547262
4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22546979
4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 22547024
4-N-(3,5-dimethylphenyl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22540987
4-N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22546983

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine (CID 22547055) is 4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine is Cc1ccc(Nc2ncnc(Nc3cc(C)ccc3C)c2N)cc1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is LLDRVOOIGJOLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-12-5-8-15(9-6-12)23-18-17(20)19(22-11-21-18)24-16-10-13(2)4-7-14(16)3/h4-11H,20H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine?
4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 319.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22547055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).