5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C10H16N4O2 — CID 136979547

IUPAC5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCCC(CO)C2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(12-6-13-10(8)16)14-3-1-2-7(4-14)5-15/h6-7,15H,1-5,11H2,(H,12,13,16)
InChIKeyHPQLWWZFPDLNNJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.44
Rot. Bonds2

About 5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136979547) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136979547
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCCC(CO)C2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(12-6-13-10(8)16)14-3-1-2-7(4-14)5-15/h6-7,15H,1-5,11H2,(H,12,13,16)
InChIKeyHPQLWWZFPDLNNJ-UHFFFAOYSA-N
XLogP-0.44
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586413
5-amino-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749162
5-amino-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759212
5-amino-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766319
5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821997
5-amino-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847965
5-amino-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857359
5-amino-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136901123
5-bromo-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957334
6-[3-(Hydroxymethyl)piperidin-1-yl]-3,4-dihydropyrimidin-4-one
CID 136957335
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136958321
5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136974438

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136979547) is 5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is Nc1c(N2CCCC(CO)C2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is HPQLWWZFPDLNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-8-9(12-6-13-10(8)16)14-3-1-2-7(4-14)5-15/h6-7,15H,1-5,11H2,(H,12,13,16).
What are the key properties of 5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).