2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine

C23H20N4O — CID 112901866

IUPAC2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1nccc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C23H20N4O/c1-17-9-5-6-12-19(17)26-23-24-16-15-22(27-23)25-20-13-7-8-14-21(20)28-18-10-3-2-4-11-18/h2-16H,1H3,(H2,24,25,26,27)
InChIKeyGMDIBCTWUZIBBM-UHFFFAOYSA-N
MW368.44 g/mol
LogP6.06
Rot. Bonds6

About 2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine

2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112901866) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112901866
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1nccc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C23H20N4O/c1-17-9-5-6-12-19(17)26-23-24-16-15-22(27-23)25-20-13-7-8-14-21(20)28-18-10-3-2-4-11-18/h2-16H,1H3,(H2,24,25,26,27)
InChIKeyGMDIBCTWUZIBBM-UHFFFAOYSA-N
XLogP6.06
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883783
2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901822
2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112891339
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112891495
2-[[2-(2-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112901878
2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112902522
4-N-(oxolan-2-ylmethyl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112886819
2-N-(3-bromo-4-methylphenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901813
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112892157
4-N-(4-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112903988
6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926974

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine (CID 112901866) is 2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine is Cc1ccccc1Nc1nccc(Nc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is GMDIBCTWUZIBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-17-9-5-6-12-19(17)26-23-24-16-15-22(27-23)25-20-13-7-8-14-21(20)28-18-10-3-2-4-11-18/h2-16H,1H3,(H2,24,25,26,27).
What are the key properties of 2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 368.44 g/mol, XLogP of 6.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112901866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).