4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine

C24H21N3O2 — CID 138392465

IUPAC4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(N)n2)c1
InChIInChI=1S/C24H21N3O2/c1-28-20-12-19(13-21(14-20)29-2)23-15-22(26-24(25)27-23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3,(H2,25,26,27)
InChIKeyVOVAGOGOVJTQSH-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.08
Rot. Bonds5

About 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine

4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine (PubChem CID 138392465) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine
PubChem CID138392465
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(N)n2)c1
InChIInChI=1S/C24H21N3O2/c1-28-20-12-19(13-21(14-20)29-2)23-15-22(26-24(25)27-23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3,(H2,25,26,27)
InChIKeyVOVAGOGOVJTQSH-UHFFFAOYSA-N
XLogP5.08
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[3-Methoxy-5-(p-tolyl)phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25195125
5-[(3s)-3-(2-Methoxybiphenyl-4-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine
CID 25195365
5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 44144378
5-[3-(3-Methoxy-4-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25093365
6-Ethyl-5-[3-(5-Methoxybiphenyl-3-Yl)prop-1-Yn-1-Yl]pyrimidine-2,4-Diamine
CID 49788718
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
2-Amino-4-phenyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile
CID 166626065
4-(3,4-Dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine
CID 629427
6-Methyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 9972300
2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11646256
4,6-Bis(4-methoxyphenyl)pyrimidin-2-amine
CID 21812434
5-(3-(3-Methoxybiphenyl-4-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine
CID 52943277

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine (CID 138392465) is 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine is COc1cc(OC)cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(N)n2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine?
The InChIKey is VOVAGOGOVJTQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-28-20-12-19(13-21(14-20)29-2)23-15-22(26-24(25)27-23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3,(H2,25,26,27).
What are the key properties of 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine?
4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine has a molecular weight of 383.45 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 138392465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).