4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine

C19H19N3O2 — CID 71655715

IUPAC4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nccc(-c3cccc(OC)c3)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-23-16-8-6-14(7-9-16)13-21-19-20-11-10-18(22-19)15-4-3-5-17(12-15)24-2/h3-12H,13H2,1-2H3,(H,20,21,22)
InChIKeyRRIRRDLGZVCUFD-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.77
Rot. Bonds6

About 4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine

4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 71655715) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID71655715
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nccc(-c3cccc(OC)c3)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-23-16-8-6-14(7-9-16)13-21-19-20-11-10-18(22-19)15-4-3-5-17(12-15)24-2/h3-12H,13H2,1-2H3,(H,20,21,22)
InChIKeyRRIRRDLGZVCUFD-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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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)pyrimidin-2-amine
CID 46172980
N-[(4-methoxyphenyl)methyl]-4-[4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine
CID 57204435
N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 3233960
2-N-butyl-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112883016
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895126
N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 15987740
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
CID 116900581
N-[(4-methoxyphenyl)methyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine
CID 67308057
N-[(3-methoxyphenyl)methyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine
CID 67305872
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
2-isothiocyanato-4-(3-methoxyphenyl)pyrimidine
CID 87188008

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine (CID 71655715) is 4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine is COc1ccc(CNc2nccc(-c3cccc(OC)c3)n2)cc1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is RRIRRDLGZVCUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-23-16-8-6-14(7-9-16)13-21-19-20-11-10-18(22-19)15-4-3-5-17(12-15)24-2/h3-12H,13H2,1-2H3,(H,20,21,22).
What are the key properties of 4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-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 4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 71655715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).