4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one

C11H17N3O2 — CID 136957333

IUPAC4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC(CO)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-12-10(5-11(16)13-8)14-4-2-3-9(6-14)7-15/h5,9,15H,2-4,6-7H2,1H3,(H,12,13,16)
InChIKeyMKBVHAQQYKYDOB-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.29
Rot. Bonds2

About 4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one

4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957333) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136957333
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC(CO)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-12-10(5-11(16)13-8)14-4-2-3-9(6-14)7-15/h5,9,15H,2-4,6-7H2,1H3,(H,12,13,16)
InChIKeyMKBVHAQQYKYDOB-UHFFFAOYSA-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

2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586414
2-Amino-6-[3-(hydroxymethyl)piperidin-1-YL]pyrimidin-4(3H)-one
CID 136121124
2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136733832
2-amino-4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136733833
4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136749163
2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749164
4-(3-hydroxy-4-methylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136749165
4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136759213
4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136759214
2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759218
2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759221
2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766320

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136957333) is 4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCCC(CO)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is MKBVHAQQYKYDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-12-10(5-11(16)13-8)14-4-2-3-9(6-14)7-15/h5,9,15H,2-4,6-7H2,1H3,(H,12,13,16).
What are the key properties of 4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-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 4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).