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

C18H15ClN2O2 — CID 2058821

IUPAC2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(Cl)n2)cc1OC
InChIInChI=1S/C18H15ClN2O2/c1-22-16-9-8-13(10-17(16)23-2)15-11-14(20-18(19)21-15)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyLBINREJTDNMIPH-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.48
Rot. Bonds4

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

2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine (PubChem CID 2058821) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
PubChem CID2058821
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(Cl)n2)cc1OC
InChIInChI=1S/C18H15ClN2O2/c1-22-16-9-8-13(10-17(16)23-2)15-11-14(20-18(19)21-15)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyLBINREJTDNMIPH-UHFFFAOYSA-N
XLogP4.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-6,7-dimethoxy-4-quinazolinamine
CID 90235
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
6,7-Dimethoxy-4-(4-phenylbut-1-ynyl)quinazoline
CID 44442165
4-(3,4-Dimethoxyphenyl)-2-hydrazino-6-phenylpyrimidine
CID 869765
4-(1,3-Benzodioxol-5-yl)-2-methylpyrimidine
CID 1477776
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
4-(4-Tert-butylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidine
CID 16749545
5-[3-(2,3-Dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
CID 25138226
5-(aminomethyl)-6-(2H-1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine
CID 10286494
6,7-Dimethoxy-4-(2-phenylethynyl)quinazoline
CID 18770812
6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamine
CID 10466996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine?
The IUPAC name of 2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine (CID 2058821) is 2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine?
The canonical SMILES for 2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine is COc1ccc(-c2cc(-c3ccccc3)nc(Cl)n2)cc1OC.
What is the InChIKey of 2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine?
The InChIKey is LBINREJTDNMIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-22-16-9-8-13(10-17(16)23-2)15-11-14(20-18(19)21-15)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine?
2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine has a molecular weight of 326.78 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 2058821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).