4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane

C14H23ClN2O2 — CID 177012346

IUPAC4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane
SMILESCC.CC(C)c1ncc(COC2CCOC2)c(Cl)n1
InChIInChI=1S/C12H17ClN2O2.C2H6/c1-8(2)12-14-5-9(11(13)15-12)6-17-10-3-4-16-7-10;1-2/h5,8,10H,3-4,6-7H2,1-2H3;1-2H3
InChIKeyAWUWJJRVIXJQEG-UHFFFAOYSA-N
MW286.80 g/mol
LogP3.59
Rot. Bonds4

About 4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane

4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane (PubChem CID 177012346) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane.

Molecular Properties

Compound Name4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane
PubChem CID177012346
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane
SMILESCC.CC(C)c1ncc(COC2CCOC2)c(Cl)n1
InChIInChI=1S/C12H17ClN2O2.C2H6/c1-8(2)12-14-5-9(11(13)15-12)6-17-10-3-4-16-7-10;1-2/h5,8,10H,3-4,6-7H2,1-2H3;1-2H3
InChIKeyAWUWJJRVIXJQEG-UHFFFAOYSA-N
XLogP3.59
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-5-[[(3S)-oxolan-3-yl]oxymethyl]-2-propan-2-ylpyrimidine
CID 177012443
2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine
CID 116519481
4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine
CID 80974230
(4-chloro-2-propan-2-ylpyrimidin-5-yl)methanamine
CID 83851947
2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine
CID 154377158
N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 63558504
2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine
CID 71640390
5-chloro-2-(oxolan-3-yloxymethyl)aniline
CID 63557218
oxolan-3-ylmethyl 5-chloro-2-propan-2-ylpyrimidine-4-carboxylate
CID 62046470
[4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine
CID 142707797
5-chloro-2-[(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(oxolan-3-yloxymethyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-methoxypropyl]pyrimidine
CID 161122898
4,5-dichloro-2-propan-2-ylpyrimidine
CID 58333528

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane?
The IUPAC name of 4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane (CID 177012346) is 4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane.
What is the SMILES notation for 4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane?
The canonical SMILES for 4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane is CC.CC(C)c1ncc(COC2CCOC2)c(Cl)n1.
What is the InChIKey of 4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane?
The InChIKey is AWUWJJRVIXJQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2.C2H6/c1-8(2)12-14-5-9(11(13)15-12)6-17-10-3-4-16-7-10;1-2/h5,8,10H,3-4,6-7H2,1-2H3;1-2H3.
What are the key properties of 4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane?
4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane has a molecular weight of 286.80 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane is sourced from PubChem (CID 177012346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).