4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine

C24H22N4O — CID 112901890

IUPAC4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2ccnc(Nc3ccc(OCc4ccccc4)cc3)n2)c1
InChIInChI=1S/C24H22N4O/c1-18-6-5-9-21(16-18)26-23-14-15-25-24(28-23)27-20-10-12-22(13-11-20)29-17-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H2,25,26,27,28)
InChIKeyZFIMVRRPDDEWGA-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.85
Rot. Bonds7

About 4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine

4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112901890) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112901890
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2ccnc(Nc3ccc(OCc4ccccc4)cc3)n2)c1
InChIInChI=1S/C24H22N4O/c1-18-6-5-9-21(16-18)26-23-14-15-25-24(28-23)27-20-10-12-22(13-11-20)29-17-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H2,25,26,27,28)
InChIKeyZFIMVRRPDDEWGA-UHFFFAOYSA-N
XLogP5.85
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112906273
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881
4-N-(2-methoxyphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112904554
4-N-[(2-methylphenyl)methyl]-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112889814
N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
CID 66493776
4-N-(3,4-dichlorophenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901934
bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
CID 158640919
2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine
CID 164645110
3-N-(3-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112969058
2-N-(4-methylphenyl)-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890029
6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
CID 130566009
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine (CID 112901890) is 4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine is Cc1cccc(Nc2ccnc(Nc3ccc(OCc4ccccc4)cc3)n2)c1.
What is the InChIKey of 4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is ZFIMVRRPDDEWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-18-6-5-9-21(16-18)26-23-14-15-25-24(28-23)27-20-10-12-22(13-11-20)29-17-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H2,25,26,27,28).
What are the key properties of 4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 382.47 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112901890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).