4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine

C17H16N4O — CID 70702137

IUPAC4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C17H16N4O/c1-22-15-10-6-5-9-14(15)20-16-11-12-18-17(21-16)19-13-7-3-2-4-8-13/h2-12H,1H3,(H2,18,19,20,21)
InChIKeyYGUQLIIAZVXGBD-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.97
Rot. Bonds5

About 4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine

4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 70702137) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
PubChem CID70702137
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C17H16N4O/c1-22-15-10-6-5-9-14(15)20-16-11-12-18-17(21-16)19-13-7-3-2-4-8-13/h2-12H,1H3,(H2,18,19,20,21)
InChIKeyYGUQLIIAZVXGBD-UHFFFAOYSA-N
XLogP3.97
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine (CID 70702137) is 4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine is COc1ccccc1Nc1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is YGUQLIIAZVXGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-15-10-6-5-9-14(15)20-16-11-12-18-17(21-16)19-13-7-3-2-4-8-13/h2-12H,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine?
4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 292.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 70702137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).