4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C13H21N3O2 — CID 136749163

IUPAC4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC(C)C(O)C2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-8(2)13-14-11(6-12(18)15-13)16-5-4-9(3)10(17)7-16/h6,8-10,17H,4-5,7H2,1-3H3,(H,14,15,18)
InChIKeyUYCBOKUPGKRVPU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.10
Rot. Bonds2

About 4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136749163) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136749163
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC(C)C(O)C2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-8(2)13-14-11(6-12(18)15-13)16-5-4-9(3)10(17)7-16/h6,8-10,17H,4-5,7H2,1-3H3,(H,14,15,18)
InChIKeyUYCBOKUPGKRVPU-UHFFFAOYSA-N
XLogP1.10
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 156471629
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
2-cyclopropyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703823
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 4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136749163) is 4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCC(C)C(O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is UYCBOKUPGKRVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)13-14-11(6-12(18)15-13)16-5-4-9(3)10(17)7-16/h6,8-10,17H,4-5,7H2,1-3H3,(H,14,15,18).
What are the key properties of 4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136749163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).