4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine

C9H13ClN2O — CID 116706185

IUPAC4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine
SMILESCCOC(C)(C)c1nccc(Cl)n1
InChIInChI=1S/C9H13ClN2O/c1-4-13-9(2,3)8-11-6-5-7(10)12-8/h5-6H,4H2,1-3H3
InChIKeyJVFQMUDNOMFMFO-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.40
Rot. Bonds3

About 4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine

4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine (PubChem CID 116706185) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine
PubChem CID116706185
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine
SMILESCCOC(C)(C)c1nccc(Cl)n1
InChIInChI=1S/C9H13ClN2O/c1-4-13-9(2,3)8-11-6-5-7(10)12-8/h5-6H,4H2,1-3H3
InChIKeyJVFQMUDNOMFMFO-UHFFFAOYSA-N
XLogP2.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine (CID 116706185) is 4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine is CCOC(C)(C)c1nccc(Cl)n1.
What is the InChIKey of 4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine?
The InChIKey is JVFQMUDNOMFMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-4-13-9(2,3)8-11-6-5-7(10)12-8/h5-6H,4H2,1-3H3.
What are the key properties of 4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine?
4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine has a molecular weight of 200.67 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine is sourced from PubChem (CID 116706185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).