2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

C19H19N3O2 — CID 44820594

IUPAC2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ccnc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-23-16-7-3-14(4-8-16)13-21-18-11-12-20-19(22-18)15-5-9-17(24-2)10-6-15/h3-12H,13H2,1-2H3,(H,20,21,22)
InChIKeyMLLQWYAJNKZPEF-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.77
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 44820594) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID44820594
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ccnc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-23-16-7-3-14(4-8-16)13-21-18-11-12-20-19(22-18)15-5-9-17(24-2)10-6-15/h3-12H,13H2,1-2H3,(H,20,21,22)
InChIKeyMLLQWYAJNKZPEF-UHFFFAOYSA-N
XLogP3.77
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (CID 44820594) is 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccc(CNc2ccnc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is MLLQWYAJNKZPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-23-16-7-3-14(4-8-16)13-21-18-11-12-20-19(22-18)15-5-9-17(24-2)10-6-15/h3-12H,13H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 321.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 44820594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).