(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one

C11H15FN4O — CID 128563070

IUPAC(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one
SMILESCc1nc(C)c(F)c(N[C@H]2CCCNC2=O)n1
InChIInChI=1S/C11H15FN4O/c1-6-9(12)10(15-7(2)14-6)16-8-4-3-5-13-11(8)17/h8H,3-5H2,1-2H3,(H,13,17)(H,14,15,16)/t8-/m0/s1
InChIKeyRFWBZZSHTIOCQY-QMMMGPOBSA-N
MW238.27 g/mol
LogP0.92
Rot. Bonds2

About (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one

(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one (PubChem CID 128563070) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one
PubChem CID128563070
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one
SMILESCc1nc(C)c(F)c(N[C@H]2CCCNC2=O)n1
InChIInChI=1S/C11H15FN4O/c1-6-9(12)10(15-7(2)14-6)16-8-4-3-5-13-11(8)17/h8H,3-5H2,1-2H3,(H,13,17)(H,14,15,16)/t8-/m0/s1
InChIKeyRFWBZZSHTIOCQY-QMMMGPOBSA-N
XLogP0.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide
CID 70727940
(4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethyl-L-prolinamide
CID 70757415
5-[(2,6-Dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64669791
2-acetamido-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 91631455
4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
CID 121020662
(3S)-4-(4-amino-6-methylpyrimidin-2-yl)-3-ethylpiperazin-2-one
CID 129560868
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
CID 68811516
(7S)-2-chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one
CID 146194465
2-Chloro-4,8-dimethyl-7-(2,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one
CID 146194467
2-Chloro-4,8-dimethyl-7-(1,2,2-trifluoroethyl)-5,7-dihydropteridin-6-one
CID 175601716
1-(2,6-dimethylpyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 53503466
N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)-4-pyrimidinyl]-2-piperazinecarboxamide
CID 56889561

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one?
The IUPAC name of (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one (CID 128563070) is (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one?
The canonical SMILES for (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one is Cc1nc(C)c(F)c(N[C@H]2CCCNC2=O)n1.
What is the InChIKey of (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one?
The InChIKey is RFWBZZSHTIOCQY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15FN4O/c1-6-9(12)10(15-7(2)14-6)16-8-4-3-5-13-11(8)17/h8H,3-5H2,1-2H3,(H,13,17)(H,14,15,16)/t8-/m0/s1.
What are the key properties of (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one?
(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one has a molecular weight of 238.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 128563070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).