4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine

C16H17ClN2O — CID 80952311

IUPAC4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine
SMILESCC(C)Oc1ccccc1-c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C16H17ClN2O/c1-10(2)20-14-6-4-3-5-12(14)13-9-15(17)19-16(18-13)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3
InChIKeyKWUXVPWQTROQDT-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.46
Rot. Bonds4

About 4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine

4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine (PubChem CID 80952311) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine
PubChem CID80952311
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine
SMILESCC(C)Oc1ccccc1-c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C16H17ClN2O/c1-10(2)20-14-6-4-3-5-12(14)13-9-15(17)19-16(18-13)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3
InChIKeyKWUXVPWQTROQDT-UHFFFAOYSA-N
XLogP4.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80936661
2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80946930
4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine
CID 63404866
2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 80949016
6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
CID 80945139
5-(6-chloro-2-cyclopropylpyrimidin-4-yl)isoquinoline
CID 80947514
1-cyclopropyl-2-propan-2-yloxybenzene
CID 121339492
4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine
CID 86004376
4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine
CID 80944786
[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol
CID 80948079
6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 133416328
4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine
CID 112554811

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine (CID 80952311) is 4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine is CC(C)Oc1ccccc1-c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine?
The InChIKey is KWUXVPWQTROQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-10(2)20-14-6-4-3-5-12(14)13-9-15(17)19-16(18-13)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine?
4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine has a molecular weight of 288.78 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine is sourced from PubChem (CID 80952311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).