2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one

C9H13FN4O — CID 141182437

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one
SMILESN[C@@H]1CCCN(c2ncc(F)c(=O)[nH]2)C1
InChIInChI=1S/C9H13FN4O/c10-7-4-12-9(13-8(7)15)14-3-1-2-6(11)5-14/h4,6H,1-3,5,11H2,(H,12,13,15)/t6-/m1/s1
InChIKeyAUWYERGJHYSEDO-ZCFIWIBFSA-N
MW212.23 g/mol
LogP-0.16
Rot. Bonds1

About 2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one

2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one (PubChem CID 141182437) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one
PubChem CID141182437
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one
SMILESN[C@@H]1CCCN(c2ncc(F)c(=O)[nH]2)C1
InChIInChI=1S/C9H13FN4O/c10-7-4-12-9(13-8(7)15)14-3-1-2-6(11)5-14/h4,6H,1-3,5,11H2,(H,12,13,15)/t6-/m1/s1
InChIKeyAUWYERGJHYSEDO-ZCFIWIBFSA-N
XLogP-0.16
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[Methyl(piperidin-4-yl)amino]pyrimidin-4-ol
CID 14601273
5-fluoro-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 21180002
2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one
CID 141111976
2-(3-aminopiperidin-1-yl)-5-fluoro-1H-pyrimidin-6-one
CID 149709905
2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one
CID 154058334
5-fluoro-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 124908401
2-amino-6-[4-(5-fluoropentyl)piperazin-1-yl]pyrimidin-4(3H)-one
CID 136663750
2-(2-piperidin-1-ylethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741375
2-(piperidin-3-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741447
2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136910336
2-[(3R)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136910337
2-(3-Aminopiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 136920529

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one (CID 141182437) is 2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one is N[C@@H]1CCCN(c2ncc(F)c(=O)[nH]2)C1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is AUWYERGJHYSEDO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13FN4O/c10-7-4-12-9(13-8(7)15)14-3-1-2-6(11)5-14/h4,6H,1-3,5,11H2,(H,12,13,15)/t6-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one?
2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 212.23 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 141182437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).