2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine

C20H13ClN2 — CID 88558011

IUPAC2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine
SMILESClc1nc(-c2ccccc2)cc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C20H13ClN2/c21-20-22-18(15-7-2-1-3-8-15)13-19(23-20)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H
InChIKeyNPFUFNJKTHMVKC-UHFFFAOYSA-N
MW316.79 g/mol
LogP5.62
Rot. Bonds2

About 2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine

2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine (PubChem CID 88558011) has the molecular formula C20H13ClN2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine
PubChem CID88558011
Molecular FormulaC20H13ClN2
Molecular Weight316.79 g/mol
Exact Mass316.08
IUPAC Name2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine
SMILESClc1nc(-c2ccccc2)cc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C20H13ClN2/c21-20-22-18(15-7-2-1-3-8-15)13-19(23-20)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H
InChIKeyNPFUFNJKTHMVKC-UHFFFAOYSA-N
XLogP5.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.79
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 141478206
2-chloro-4-[4-[4-(2-iodo-6-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenylpyrimidine
CID 88562869
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine
CID 112693753
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 118543537
4-[3-(2-chloro-6-phenylpyrimidin-4-yl)phenyl]benzonitrile
CID 130452678
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577
4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 118490750
2-chloro-4-naphthalen-2-ylpyrimidine;ethane
CID 90837684
2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine
CID 126681895

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine?
The IUPAC name of 2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine (CID 88558011) is 2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine.
What is the SMILES notation for 2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine?
The canonical SMILES for 2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine is Clc1nc(-c2ccccc2)cc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine?
The InChIKey is NPFUFNJKTHMVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2/c21-20-22-18(15-7-2-1-3-8-15)13-19(23-20)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H.
What are the key properties of 2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine?
2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine has a molecular weight of 316.79 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine is sourced from PubChem (CID 88558011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).