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

C10H16N4O2 — CID 136733832

IUPAC2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCC[C@H](CO)C2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c11-10-12-8(4-9(16)13-10)14-3-1-2-7(5-14)6-15/h4,7,15H,1-3,5-6H2,(H3,11,12,13,16)/t7-/m0/s1
InChIKeyGCOSZWZVCNBYSC-ZETCQYMHSA-N
MW224.26 g/mol
LogP-0.44
Rot. Bonds2

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

2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136733832) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136733832
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCC[C@H](CO)C2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c11-10-12-8(4-9(16)13-10)14-3-1-2-7(5-14)6-15/h4,7,15H,1-3,5-6H2,(H3,11,12,13,16)/t7-/m0/s1
InChIKeyGCOSZWZVCNBYSC-ZETCQYMHSA-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

2-Amino-6-[3-(hydroxymethyl)piperidin-1-YL]pyrimidin-4(3H)-one
CID 136121124
2-amino-4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136733833
(3S)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136776189
(3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136776190
2-amino-6-(4-hydroxypiperidin-1-yl)pyrimidin-4(3H)-one
CID 136776209
4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821999
4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136957333
6-[3-(Hydroxymethyl)piperidin-1-yl]-3,4-dihydropyrimidin-4-one
CID 136957335
4-[3-(hydroxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979549
2-ethyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136979550
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136979651
2-cyclopropyl-4-[3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989566

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136733832) is 2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is Nc1nc(N2CCC[C@H](CO)C2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is GCOSZWZVCNBYSC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-10-12-8(4-9(16)13-10)14-3-1-2-7(5-14)6-15/h4,7,15H,1-3,5-6H2,(H3,11,12,13,16)/t7-/m0/s1.
What are the key properties of 2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[(3S)-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 2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136733832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).