2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol

C16H25FN4O — CID 50957693

IUPAC2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CCCN(c2ncc(F)c(N3CCCC3)n2)C1
InChIInChI=1S/C16H25FN4O/c1-16(2,22)12-6-5-9-21(11-12)15-18-10-13(17)14(19-15)20-7-3-4-8-20/h10,12,22H,3-9,11H2,1-2H3
InChIKeyKSDIIKAKZCHFPZ-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.20
Rot. Bonds3

About 2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol

2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol (PubChem CID 50957693) has the molecular formula C16H25FN4O and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol
PubChem CID50957693
Molecular FormulaC16H25FN4O
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC Name2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CCCN(c2ncc(F)c(N3CCCC3)n2)C1
InChIInChI=1S/C16H25FN4O/c1-16(2,22)12-6-5-9-21(11-12)15-18-10-13(17)14(19-15)20-7-3-4-8-20/h10,12,22H,3-9,11H2,1-2H3
InChIKeyKSDIIKAKZCHFPZ-UHFFFAOYSA-N
XLogP2.20
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol with MolForge

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Related Compounds

{1-[5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-yl}methanol
CID 67182867
[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
(3R*,4R*)-1-[5-fluoro-4-(methylamino)-2-pyrimidinyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72838588
[(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol
CID 97199750
1-{2-[(5-Fluoropyrimidin-2-yl)(methyl)amino]ethyl}cyclopentanol
CID 131902405
2-[1-(5-Fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol
CID 172744912
(1-(5-Fluoropyrimidin-2-yl)piperidin-3-yl)methanol
CID 60137798
(3R*,4R*)-3-cyclopropyl-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-methylpyrrolidin-3-ol
CID 70716015
(3R*,4R*)-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-3,4-dimethyl-3-pyrrolidinol
CID 72851467
(3R*,4R*)-3-cyclopropyl-1-[5-fluoro-4-(methylamino)-2-pyrimidinyl]-4-methyl-3-pyrrolidinol
CID 72853527
(3R*,4R*)-3-cyclopropyl-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-4-methyl-3-pyrrolidinol
CID 72859671
8-[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]-1-oxa-8-azaspiro[4.5]decan-3-OL
CID 72864148

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol (CID 50957693) is 2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol is CC(C)(O)C1CCCN(c2ncc(F)c(N3CCCC3)n2)C1.
What is the InChIKey of 2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol?
The InChIKey is KSDIIKAKZCHFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O/c1-16(2,22)12-6-5-9-21(11-12)15-18-10-13(17)14(19-15)20-7-3-4-8-20/h10,12,22H,3-9,11H2,1-2H3.
What are the key properties of 2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol?
2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol has a molecular weight of 308.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol is sourced from PubChem (CID 50957693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).