4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine

C13H17ClN2O — CID 80948330

IUPAC4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine
SMILESClc1cc(OC2CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C13H17ClN2O/c14-11-8-12(16-13(15-11)9-6-7-9)17-10-4-2-1-3-5-10/h8-10H,1-7H2
InChIKeyQKYDCNLNIPXYCR-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.72
Rot. Bonds3

About 4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine

4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine (PubChem CID 80948330) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine
PubChem CID80948330
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine
SMILESClc1cc(OC2CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C13H17ClN2O/c14-11-8-12(16-13(15-11)9-6-7-9)17-10-4-2-1-3-5-10/h8-10H,1-7H2
InChIKeyQKYDCNLNIPXYCR-UHFFFAOYSA-N
XLogP3.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine?
The IUPAC name of 4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine (CID 80948330) is 4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine is Clc1cc(OC2CCCCC2)nc(C2CC2)n1.
What is the InChIKey of 4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine?
The InChIKey is QKYDCNLNIPXYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-8-12(16-13(15-11)9-6-7-9)17-10-4-2-1-3-5-10/h8-10H,1-7H2.
What are the key properties of 4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine?
4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine has a molecular weight of 252.74 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine is sourced from PubChem (CID 80948330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).