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

C10H13N3O3 — CID 10751559

IUPAC4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one
SMILESNc1ccn([C@H]2C=C[C@@H](CO)OC2)c(=O)n1
InChIInChI=1S/C10H13N3O3/c11-9-3-4-13(10(15)12-9)7-1-2-8(5-14)16-6-7/h1-4,7-8,14H,5-6H2,(H2,11,12,15)/t7-,8-/m0/s1
InChIKeyOPTKBOFHSIFGGS-YUMQZZPRSA-N
MW223.23 g/mol
LogP-0.69
Rot. Bonds2

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

4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one (PubChem CID 10751559) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one
PubChem CID10751559
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one
SMILESNc1ccn([C@H]2C=C[C@@H](CO)OC2)c(=O)n1
InChIInChI=1S/C10H13N3O3/c11-9-3-4-13(10(15)12-9)7-1-2-8(5-14)16-6-7/h1-4,7-8,14H,5-6H2,(H2,11,12,15)/t7-,8-/m0/s1
InChIKeyOPTKBOFHSIFGGS-YUMQZZPRSA-N
XLogP-0.69
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[(1S,4S,5S)-4,5-bis(hydroxymethyl)cyclohex-2-en-1-yl]pyrimidin-2-one
CID 25053074
4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
CID 10014556
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 1223201
4-amino-1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 155736143
sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride
CID 175228368
4-amino-1-[(5S)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 134312316
4-amino-1-[(4R,6S)-6-(hydroxymethyl)-5-oxaspiro[2.4]heptan-4-yl]pyrimidin-2-one
CID 143920104
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142242

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one (CID 10751559) is 4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one is Nc1ccn([C@H]2C=C[C@@H](CO)OC2)c(=O)n1.
What is the InChIKey of 4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one?
The InChIKey is OPTKBOFHSIFGGS-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-9-3-4-13(10(15)12-9)7-1-2-8(5-14)16-6-7/h1-4,7-8,14H,5-6H2,(H2,11,12,15)/t7-,8-/m0/s1.
What are the key properties of 4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one?
4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one has a molecular weight of 223.23 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one is sourced from PubChem (CID 10751559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).