4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine

C12H17ClN2O2 — CID 80974230

IUPAC4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1OC1CCOC1
InChIInChI=1S/C12H17ClN2O2/c1-7(2)11-14-10(13)8(3)12(15-11)17-9-4-5-16-6-9/h7,9H,4-6H2,1-3H3
InChIKeyHUTAXTCZOQUZGT-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.73
Rot. Bonds3

About 4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine

4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine (PubChem CID 80974230) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine
PubChem CID80974230
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1OC1CCOC1
InChIInChI=1S/C12H17ClN2O2/c1-7(2)11-14-10(13)8(3)12(15-11)17-9-4-5-16-6-9/h7,9H,4-6H2,1-3H3
InChIKeyHUTAXTCZOQUZGT-UHFFFAOYSA-N
XLogP2.73
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine
CID 80974231
4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine
CID 80972734
4-chloro-5-[[(3S)-oxolan-3-yl]oxymethyl]-2-propan-2-ylpyrimidine
CID 177012443
4-chloro-5-(oxolan-3-yloxymethyl)-2-propan-2-ylpyrimidine;ethane
CID 177012346
6-chloro-3-methyl-2-(oxolan-3-yloxy)pyridine
CID 144854870
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine
CID 80990732
5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine
CID 177179845
6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970999
[6-(4,4-dimethylcyclohexyl)oxy-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114343032
4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine
CID 80973778
5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine
CID 137449494

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine (CID 80974230) is 4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine is Cc1c(Cl)nc(C(C)C)nc1OC1CCOC1.
What is the InChIKey of 4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine?
The InChIKey is HUTAXTCZOQUZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-7(2)11-14-10(13)8(3)12(15-11)17-9-4-5-16-6-9/h7,9H,4-6H2,1-3H3.
What are the key properties of 4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine?
4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine has a molecular weight of 256.73 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80974230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).