[3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol

C13H19N3O2 — CID 116902950

IUPAC[3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol
SMILESCN1CCC(c2ccnc(C3(CO)COC3)n2)C1
InChIInChI=1S/C13H19N3O2/c1-16-5-3-10(6-16)11-2-4-14-12(15-11)13(7-17)8-18-9-13/h2,4,10,17H,3,5-9H2,1H3
InChIKeyMPWQRWRWAJGGKG-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.16
Rot. Bonds3

About [3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol

[3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol (PubChem CID 116902950) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol
PubChem CID116902950
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol
SMILESCN1CCC(c2ccnc(C3(CO)COC3)n2)C1
InChIInChI=1S/C13H19N3O2/c1-16-5-3-10(6-16)11-2-4-14-12(15-11)13(7-17)8-18-9-13/h2,4,10,17H,3,5-9H2,1H3
InChIKeyMPWQRWRWAJGGKG-UHFFFAOYSA-N
XLogP0.16
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882697
[1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902705
[3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine
CID 116902990
3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butanoic acid
CID 116899990
2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine
CID 116898480
[4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine
CID 116899105
4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 116898933
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid
CID 116900046
3-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105038
[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902577
2-[4-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butanoic acid
CID 116903021
2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116865503

Frequently Asked Questions

What is the IUPAC name of [3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol?
The IUPAC name of [3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol (CID 116902950) is [3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol is CN1CCC(c2ccnc(C3(CO)COC3)n2)C1.
What is the InChIKey of [3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol?
The InChIKey is MPWQRWRWAJGGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-5-3-10(6-16)11-2-4-14-12(15-11)13(7-17)8-18-9-13/h2,4,10,17H,3,5-9H2,1H3.
What are the key properties of [3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol?
[3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol has a molecular weight of 249.31 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]oxetan-3-yl]methanol is sourced from PubChem (CID 116902950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).