2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol

C12H18FN3O — CID 172744912

IUPAC2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)C1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C12H18FN3O/c1-12(2,8-17)9-3-4-16(7-9)11-14-5-10(13)6-15-11/h5-6,9,17H,3-4,7-8H2,1-2H3
InChIKeyJPBFQSFHWZPADX-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.46
Rot. Bonds3

About 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol

2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol (PubChem CID 172744912) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol
PubChem CID172744912
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)C1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C12H18FN3O/c1-12(2,8-17)9-3-4-16(7-9)11-14-5-10(13)6-15-11/h5-6,9,17H,3-4,7-8H2,1-2H3
InChIKeyJPBFQSFHWZPADX-UHFFFAOYSA-N
XLogP1.46
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
2-[1-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol
CID 50957693
(1-{[(5-Fluoropyrimidin-2-yl)(methyl)amino]methyl}cyclopentyl)methanol
CID 131947034
(7S,8aS)-7-hydroxymethyl-2-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
CID 15886071
(7RS,8aSR)-7-Hydroxymethyl-7-methyl-2-(5-fluoropyrimdin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
CID 20682338
[2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol
CID 21706371
(1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl)methanol
CID 60137814
[(7S)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol
CID 67634175
4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69492776
2-[3-Tert-butyl-4-(fluoromethyl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 117878018
2-[1-[5-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
CID 131988157
2-[1-(5-Fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropanoic acid
CID 135382638

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol (CID 172744912) is 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol is CC(C)(CO)C1CCN(c2ncc(F)cn2)C1.
What is the InChIKey of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol?
The InChIKey is JPBFQSFHWZPADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-12(2,8-17)9-3-4-16(7-9)11-14-5-10(13)6-15-11/h5-6,9,17H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol?
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol has a molecular weight of 239.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 172744912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).