1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol

C9H12FN3O — CID 103357375

IUPAC1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2cc(F)ncn2)C1
InChIInChI=1S/C9H12FN3O/c1-9(14)2-3-13(5-9)8-4-7(10)11-6-12-8/h4,6,14H,2-3,5H2,1H3
InChIKeyRLBKLVPZDUCOMI-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.58
Rot. Bonds1

About 1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol

1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol (PubChem CID 103357375) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol
PubChem CID103357375
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2cc(F)ncn2)C1
InChIInChI=1S/C9H12FN3O/c1-9(14)2-3-13(5-9)8-4-7(10)11-6-12-8/h4,6,14H,2-3,5H2,1H3
InChIKeyRLBKLVPZDUCOMI-UHFFFAOYSA-N
XLogP0.58
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5R)-5-((dimethylamino)methyl)-1-(6-fluoropyrimidin-4-yl)pyrrolidin-3-ol
CID 165738809
1-[[6-[(2-Hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 75524466
1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 136583774
1-(5-Fluoro-6-pyrrolidin-1-ylpyrimidin-4-yl)-3-methylpyrrolidin-3-ol
CID 117663691
(3R,4R)-4-fluoro-1-(6-iodo-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 140318365
4-Fluoro-1-(6-iodo-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 142743310
(3S,4S)-4-fluoro-1-(6-iodo-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 146441104
(3S)-4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)-3-methylpyrrolidin-3-ol
CID 156254931
(4S)-4-fluoro-1-(6-iodo-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol
CID 156254945
(3R*,4R*)-1-[5-fluoro-4-(methylamino)-2-pyrimidinyl]-3,4-dimethyl-3-pyrrolidinol
CID 72881822
(3R*,4R*)-1-[5-fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3,4-dimethyl-3-pyrrolidinol
CID 72936823
1-[6-(Cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 75496473

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol (CID 103357375) is 1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(c2cc(F)ncn2)C1.
What is the InChIKey of 1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol?
The InChIKey is RLBKLVPZDUCOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-9(14)2-3-13(5-9)8-4-7(10)11-6-12-8/h4,6,14H,2-3,5H2,1H3.
What are the key properties of 1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol?
1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol has a molecular weight of 197.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103357375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).