(1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine

C19H20N4O — CID 51038074

IUPAC(1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine
SMILESCOc1ccc(-c2cc(NC[C@H](N)c3ccccc3)ncn2)cc1
InChIInChI=1S/C19H20N4O/c1-24-16-9-7-15(8-10-16)18-11-19(23-13-22-18)21-12-17(20)14-5-3-2-4-6-14/h2-11,13,17H,12,20H2,1H3,(H,21,22,23)/t17-/m0/s1
InChIKeyCYABYDQDLHCJSE-KRWDZBQOSA-N
MW320.40 g/mol
LogP3.26
Rot. Bonds6

About (1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine

(1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine (PubChem CID 51038074) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine
PubChem CID51038074
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine
SMILESCOc1ccc(-c2cc(NC[C@H](N)c3ccccc3)ncn2)cc1
InChIInChI=1S/C19H20N4O/c1-24-16-9-7-15(8-10-16)18-11-19(23-13-22-18)21-12-17(20)14-5-3-2-4-6-14/h2-11,13,17H,12,20H2,1H3,(H,21,22,23)/t17-/m0/s1
InChIKeyCYABYDQDLHCJSE-KRWDZBQOSA-N
XLogP3.26
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine?
The IUPAC name of (1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine (CID 51038074) is (1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine.
What is the SMILES notation for (1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine?
The canonical SMILES for (1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine is COc1ccc(-c2cc(NC[C@H](N)c3ccccc3)ncn2)cc1.
What is the InChIKey of (1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine?
The InChIKey is CYABYDQDLHCJSE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O/c1-24-16-9-7-15(8-10-16)18-11-19(23-13-22-18)21-12-17(20)14-5-3-2-4-6-14/h2-11,13,17H,12,20H2,1H3,(H,21,22,23)/t17-/m0/s1.
What are the key properties of (1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine?
(1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine has a molecular weight of 320.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine is sourced from PubChem (CID 51038074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).