2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine

C11H16N2O2 — CID 130436955

IUPAC2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine
SMILESCC(C)c1ccnc(O[C@H]2CCOC2)n1
InChIInChI=1S/C11H16N2O2/c1-8(2)10-3-5-12-11(13-10)15-9-4-6-14-7-9/h3,5,8-9H,4,6-7H2,1-2H3/t9-/m0/s1
InChIKeyGJMIBKVDUYIGJI-VIFPVBQESA-N
MW208.26 g/mol
LogP1.77
Rot. Bonds3

About 2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine

2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine (PubChem CID 130436955) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine
PubChem CID130436955
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine
SMILESCC(C)c1ccnc(O[C@H]2CCOC2)n1
InChIInChI=1S/C11H16N2O2/c1-8(2)10-3-5-12-11(13-10)15-9-4-6-14-7-9/h3,5,8-9H,4,6-7H2,1-2H3/t9-/m0/s1
InChIKeyGJMIBKVDUYIGJI-VIFPVBQESA-N
XLogP1.77
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyloxy-4-propan-2-ylpyrimidine
CID 58592746
ethane;N-[2-(oxolan-3-yloxy)pyrimidin-4-yl]formamide
CID 145084746
2-(oxolan-3-yloxy)quinazoline
CID 67362717
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
2-(oxetan-3-yl)-4-propan-2-ylpyrimidine
CID 167163743
(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
CID 83123778
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 55212360
N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine
CID 83188779
N-methyl-4-[(3R)-oxolan-3-yl]oxypyridin-2-amine
CID 178043736
N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;3-methoxyoxolane
CID 167458551
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine?
The IUPAC name of 2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine (CID 130436955) is 2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine?
The canonical SMILES for 2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine is CC(C)c1ccnc(O[C@H]2CCOC2)n1.
What is the InChIKey of 2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine?
The InChIKey is GJMIBKVDUYIGJI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)10-3-5-12-11(13-10)15-9-4-6-14-7-9/h3,5,8-9H,4,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine?
2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine has a molecular weight of 208.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-oxolan-3-yl]oxy-4-propan-2-ylpyrimidine is sourced from PubChem (CID 130436955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).