2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one

C11H17N3O2 — CID 136811791

IUPAC2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC[C@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-2-9-12-10(6-11(16)13-9)14-5-3-4-8(15)7-14/h6,8,15H,2-5,7H2,1H3,(H,12,13,16)/t8-/m0/s1
InChIKeyCEJAVMQSANWDTF-QMMMGPOBSA-N
MW223.28 g/mol
LogP0.29
Rot. Bonds2

About 2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one

2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136811791) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136811791
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC[C@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-2-9-12-10(6-11(16)13-9)14-5-3-4-8(15)7-14/h6,8,15H,2-5,7H2,1H3,(H,12,13,16)/t8-/m0/s1
InChIKeyCEJAVMQSANWDTF-QMMMGPOBSA-N
XLogP0.29
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(3S)-3-hydroxypiperidin-1-yl]propylamino]-1H-pyrimidin-6-one
CID 171359109
4-Hydroxy-6-(3-hydroxypiperidin-1-yl)pyrimidine
CID 136276594
2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702377
4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702379
4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136702380
2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702382
4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702385
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136703822
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703824
2-ethyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703830
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
4-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703833

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one (CID 136811791) is 2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one is CCc1nc(N2CCC[C@H](O)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is CEJAVMQSANWDTF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-9-12-10(6-11(16)13-9)14-5-3-4-8(15)7-14/h6,8,15H,2-5,7H2,1H3,(H,12,13,16)/t8-/m0/s1.
What are the key properties of 2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136811791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).