4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine

C17H13ClN2 — CID 63354926

IUPAC4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine
SMILESClc1cc(C2CC2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C17H13ClN2/c18-16-10-15(12-8-9-12)19-17(20-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,12H,8-9H2
InChIKeyZUBIVEIIINWHBX-UHFFFAOYSA-N
MW280.76 g/mol
LogP4.83
Rot. Bonds2

About 4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine

4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine (PubChem CID 63354926) has the molecular formula C17H13ClN2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine
PubChem CID63354926
Molecular FormulaC17H13ClN2
Molecular Weight280.76 g/mol
Exact Mass280.08
IUPAC Name4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine
SMILESClc1cc(C2CC2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C17H13ClN2/c18-16-10-15(12-8-9-12)19-17(20-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,12H,8-9H2
InChIKeyZUBIVEIIINWHBX-UHFFFAOYSA-N
XLogP4.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine
CID 63353337
4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine
CID 113328920
4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine
CID 63355064
5-chloro-3-naphthalen-1-yl-1,2,4-triazine
CID 116823814
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
CID 112670204
1-[3-[6-chloro-2-(2-chlorophenyl)pyrimidin-4-yl]azetidin-1-yl]-2-cyclopentylethanone
CID 89112322
4-chloro-2-cyclopropylquinoline
CID 63357870
2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine
CID 107281079
5-(6-chloro-2-cyclopropylpyrimidin-4-yl)isoquinoline
CID 80947514
2,4-dichloro-6-[2-(2-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 177076670
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine (CID 63354926) is 4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine is Clc1cc(C2CC2)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine?
The InChIKey is ZUBIVEIIINWHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2/c18-16-10-15(12-8-9-12)19-17(20-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,12H,8-9H2.
What are the key properties of 4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine?
4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine has a molecular weight of 280.76 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 63354926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).