[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol

C13H21N3O — CID 92581382

IUPAC[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCC(C)c1ncc(CN2CC[C@@H](CO)C2)cn1
InChIInChI=1S/C13H21N3O/c1-10(2)13-14-5-12(6-15-13)8-16-4-3-11(7-16)9-17/h5-6,10-11,17H,3-4,7-9H2,1-2H3/t11-/m1/s1
InChIKeyKKIRTSVRMWEFDO-LLVKDONJSA-N
MW235.33 g/mol
LogP1.41
Rot. Bonds4

About [(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol

[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 92581382) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID92581382
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCC(C)c1ncc(CN2CC[C@@H](CO)C2)cn1
InChIInChI=1S/C13H21N3O/c1-10(2)13-14-5-12(6-15-13)8-16-4-3-11(7-16)9-17/h5-6,10-11,17H,3-4,7-9H2,1-2H3/t11-/m1/s1
InChIKeyKKIRTSVRMWEFDO-LLVKDONJSA-N
XLogP1.41
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 71650079
N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide
CID 110244182
(8aR)-2-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 99937780
[(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 129367833
[(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 70724361
[(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 97169730
[(3S)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 97169637
[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol
CID 66154430
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[1-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 115882586
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
N-(2-hydroxyethyl)-3-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 95812587

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol (CID 92581382) is [(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol is CC(C)c1ncc(CN2CC[C@@H](CO)C2)cn1.
What is the InChIKey of [(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is KKIRTSVRMWEFDO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)13-14-5-12(6-15-13)8-16-4-3-11(7-16)9-17/h5-6,10-11,17H,3-4,7-9H2,1-2H3/t11-/m1/s1.
What are the key properties of [(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol?
[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 92581382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).