6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine

C23H20N4O — CID 112926974

IUPAC6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2Oc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C23H20N4O/c1-17-16-22(27-23(24-17)25-18-10-4-2-5-11-18)26-20-14-8-9-15-21(20)28-19-12-6-3-7-13-19/h2-16H,1H3,(H2,24,25,26,27)
InChIKeyRSLMTWXEYSLOKD-UHFFFAOYSA-N
MW368.44 g/mol
LogP6.06
Rot. Bonds6

About 6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine

6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112926974) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112926974
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2Oc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C23H20N4O/c1-17-16-22(27-23(24-17)25-18-10-4-2-5-11-18)26-20-14-8-9-15-21(20)28-19-12-6-3-7-13-19/h2-16H,1H3,(H2,24,25,26,27)
InChIKeyRSLMTWXEYSLOKD-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

6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112932156
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112932160
4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112909762
6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112926836
4-N-(2-ethoxyphenyl)-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927430
4-N-(2-methoxyphenyl)-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112930435
6-methyl-2-N-(2-phenoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919228
4-N-(2-methoxyphenyl)-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112930468
6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909578
4-N-(2-ethoxyphenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928725
2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931850
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117083923

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine (CID 112926974) is 6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2Oc2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is RSLMTWXEYSLOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-17-16-22(27-23(24-17)25-18-10-4-2-5-11-18)26-20-14-8-9-15-21(20)28-19-12-6-3-7-13-19/h2-16H,1H3,(H2,24,25,26,27).
What are the key properties of 6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine?
6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-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 6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112926974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).