4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine

C16H23ClN2 — CID 113390255

IUPAC4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine
SMILESClc1cc(C2CCCC2)nc(C2CCCCCC2)n1
InChIInChI=1S/C16H23ClN2/c17-15-11-14(12-7-5-6-8-12)18-16(19-15)13-9-3-1-2-4-10-13/h11-13H,1-10H2
InChIKeyXUCBEYRABTXTBE-UHFFFAOYSA-N
MW278.83 g/mol
LogP5.23
Rot. Bonds2

About 4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine

4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine (PubChem CID 113390255) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine
PubChem CID113390255
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine
SMILESClc1cc(C2CCCC2)nc(C2CCCCCC2)n1
InChIInChI=1S/C16H23ClN2/c17-15-11-14(12-7-5-6-8-12)18-16(19-15)13-9-3-1-2-4-10-13/h11-13H,1-10H2
InChIKeyXUCBEYRABTXTBE-UHFFFAOYSA-N
XLogP5.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.83
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-2-cycloundecylpyrimidine
CID 123163685
6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463215
4-chloro-2-cyclooctyl-6-propylpyrimidine
CID 80602535
4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine
CID 80621568
4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine
CID 63352862
4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine
CID 113390232
4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine
CID 112554769
4-chloro-2-cyclooctyl-6-(2-methylpropyl)pyrimidine
CID 80603227
N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463214
4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine
CID 80948330
2-chloro-4-cyclooctyl-6-cycloundecyl-1,3,5-triazine
CID 146635331
4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine
CID 113390238

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine?
The IUPAC name of 4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine (CID 113390255) is 4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine.
What is the SMILES notation for 4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine?
The canonical SMILES for 4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine is Clc1cc(C2CCCC2)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine?
The InChIKey is XUCBEYRABTXTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-15-11-14(12-7-5-6-8-12)18-16(19-15)13-9-3-1-2-4-10-13/h11-13H,1-10H2.
What are the key properties of 4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine?
4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine has a molecular weight of 278.83 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine is sourced from PubChem (CID 113390255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).