2-chloro-4-naphthalen-2-ylpyrimidine;ethane

C18H21ClN2 — CID 90837684

IUPAC2-chloro-4-naphthalen-2-ylpyrimidine;ethane
SMILESCC.CC.Clc1nccc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C14H9ClN2.2C2H6/c15-14-16-8-7-13(17-14)12-6-5-10-3-1-2-4-11(10)9-12;2*1-2/h1-9H;2*1-2H3
InChIKeySMOUTKLHHFGKQA-UHFFFAOYSA-N
MW300.83 g/mol
LogP6.00
Rot. Bonds1

About 2-chloro-4-naphthalen-2-ylpyrimidine;ethane

2-chloro-4-naphthalen-2-ylpyrimidine;ethane (PubChem CID 90837684) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-2-ylpyrimidine;ethane.

Molecular Properties

Compound Name2-chloro-4-naphthalen-2-ylpyrimidine;ethane
PubChem CID90837684
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name2-chloro-4-naphthalen-2-ylpyrimidine;ethane
SMILESCC.CC.Clc1nccc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C14H9ClN2.2C2H6/c15-14-16-8-7-13(17-14)12-6-5-10-3-1-2-4-11(10)9-12;2*1-2/h1-9H;2*1-2H3
InChIKeySMOUTKLHHFGKQA-UHFFFAOYSA-N
XLogP6.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.83
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-naphthalen-2-ylpyrimidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine
CID 118029072
2-chloro-4-(3-methylphenyl)pyrimidine
CID 24901884
2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine
CID 88558011
2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 156767945
1-(4-naphthalen-2-ylpyrimidin-2-yl)ethanamine
CID 116897619
4-(2-chloropyrimidin-4-yl)-2-methylbenzenethiol
CID 174529253
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine
CID 88556442
5-(2-chloropyrimidin-4-yl)-2-methoxyphenol
CID 91620392
6-(2-chloropyrimidin-4-yl)-2-methyl-1,3-benzoxazole
CID 116904381
2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine
CID 116546024
ethane;2-naphthalen-2-yl-1H-imidazole
CID 145111016

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-2-ylpyrimidine;ethane?
The IUPAC name of 2-chloro-4-naphthalen-2-ylpyrimidine;ethane (CID 90837684) is 2-chloro-4-naphthalen-2-ylpyrimidine;ethane.
What is the SMILES notation for 2-chloro-4-naphthalen-2-ylpyrimidine;ethane?
The canonical SMILES for 2-chloro-4-naphthalen-2-ylpyrimidine;ethane is CC.CC.Clc1nccc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 2-chloro-4-naphthalen-2-ylpyrimidine;ethane?
The InChIKey is SMOUTKLHHFGKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2.2C2H6/c15-14-16-8-7-13(17-14)12-6-5-10-3-1-2-4-11(10)9-12;2*1-2/h1-9H;2*1-2H3.
What are the key properties of 2-chloro-4-naphthalen-2-ylpyrimidine;ethane?
2-chloro-4-naphthalen-2-ylpyrimidine;ethane has a molecular weight of 300.83 g/mol, XLogP of 6.00, 1 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-ylpyrimidine;ethane is sourced from PubChem (CID 90837684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).