4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine

C12H17ClN2O — CID 106201356

IUPAC4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(OCCC2CC2)n1
InChIInChI=1S/C12H17ClN2O/c1-8(2)12-14-10(13)7-11(15-12)16-6-5-9-3-4-9/h7-9H,3-6H2,1-2H3
InChIKeyBGRFCNIZEMEWTD-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.43
Rot. Bonds5

About 4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine

4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine (PubChem CID 106201356) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine
PubChem CID106201356
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(OCCC2CC2)n1
InChIInChI=1S/C12H17ClN2O/c1-8(2)12-14-10(13)7-11(15-12)16-6-5-9-3-4-9/h7-9H,3-6H2,1-2H3
InChIKeyBGRFCNIZEMEWTD-UHFFFAOYSA-N
XLogP3.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-octoxy-2-propan-2-ylpyrimidine
CID 80948934
4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine
CID 114157430
4-chloro-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine
CID 80949502
4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine
CID 80949334
2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine
CID 106201462
2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile
CID 106201384
2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine
CID 106201441
4-chloro-6-(3,5-dimethylcyclohexyl)oxy-2-propan-2-ylpyrimidine
CID 80948669
3-chloro-6-(2-cyclopropylethoxy)pyridazine
CID 58075185
6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953834
4-(1,3-benzodioxol-5-ylmethoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944491
6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 106013954

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine (CID 106201356) is 4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine is CC(C)c1nc(Cl)cc(OCCC2CC2)n1.
What is the InChIKey of 4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine?
The InChIKey is BGRFCNIZEMEWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8(2)12-14-10(13)7-11(15-12)16-6-5-9-3-4-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine?
4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine has a molecular weight of 240.73 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 106201356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).