2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine

C24H19ClN2O3 — CID 1350419

IUPAC2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(Oc3ccc(Cl)cc3)n2)cc1OC
InChIInChI=1S/C24H19ClN2O3/c1-28-22-13-8-17(14-23(22)29-2)21-15-20(16-6-4-3-5-7-16)26-24(27-21)30-19-11-9-18(25)10-12-19/h3-15H,1-2H3
InChIKeyBTJDPOUZPRRTNS-UHFFFAOYSA-N
MW418.88 g/mol
LogP6.27
Rot. Bonds6

About 2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine

2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine (PubChem CID 1350419) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
PubChem CID1350419
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(Oc3ccc(Cl)cc3)n2)cc1OC
InChIInChI=1S/C24H19ClN2O3/c1-28-22-13-8-17(14-23(22)29-2)21-15-20(16-6-4-3-5-7-16)26-24(27-21)30-19-11-9-18(25)10-12-19/h3-15H,1-2H3
InChIKeyBTJDPOUZPRRTNS-UHFFFAOYSA-N
XLogP6.27
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine
CID 131698334
4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine
CID 2854304
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide
CID 20896216
4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 630454
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459
2-chloro-6-(3,4-dimethoxyphenyl)pyrimidine-4-carbonitrile
CID 39374773
4-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 2842344
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine
CID 2854001
4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 141478206
7-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 17036245

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine?
The IUPAC name of 2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine (CID 1350419) is 2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine?
The canonical SMILES for 2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine is COc1ccc(-c2cc(-c3ccccc3)nc(Oc3ccc(Cl)cc3)n2)cc1OC.
What is the InChIKey of 2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine?
The InChIKey is BTJDPOUZPRRTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-28-22-13-8-17(14-23(22)29-2)21-15-20(16-6-4-3-5-7-16)26-24(27-21)30-19-11-9-18(25)10-12-19/h3-15H,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine?
2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine has a molecular weight of 418.88 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 1350419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).