4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine

C18H17N3O2 — CID 70485810

IUPAC4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(Nc3ccccc3)nc2OC)cc1
InChIInChI=1S/C18H17N3O2/c1-22-15-10-8-13(9-11-15)16-12-19-18(21-17(16)23-2)20-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20,21)
InChIKeyKJCNDQMWEDCZQF-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.90
Rot. Bonds5

About 4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine

4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine (PubChem CID 70485810) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine
PubChem CID70485810
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(Nc3ccccc3)nc2OC)cc1
InChIInChI=1S/C18H17N3O2/c1-22-15-10-8-13(9-11-15)16-12-19-18(21-17(16)23-2)20-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20,21)
InChIKeyKJCNDQMWEDCZQF-UHFFFAOYSA-N
XLogP3.90
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine (CID 70485810) is 4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine is COc1ccc(-c2cnc(Nc3ccccc3)nc2OC)cc1.
What is the InChIKey of 4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine?
The InChIKey is KJCNDQMWEDCZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-15-10-8-13(9-11-15)16-12-19-18(21-17(16)23-2)20-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20,21).
What are the key properties of 4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine?
4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine has a molecular weight of 307.35 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 70485810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).