4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one

C10H15N3O3 — CID 136730476

IUPAC4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC2(CO)CCOCC2)nc[nH]1
InChIInChI=1S/C10H15N3O3/c14-6-10(1-3-16-4-2-10)13-8-5-9(15)12-7-11-8/h5,7,14H,1-4,6H2,(H2,11,12,13,15)
InChIKeyUOPOVTFZGUPWBJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.28
Rot. Bonds3

About 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one

4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136730476) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
PubChem CID136730476
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC2(CO)CCOCC2)nc[nH]1
InChIInChI=1S/C10H15N3O3/c14-6-10(1-3-16-4-2-10)13-8-5-9(15)12-7-11-8/h5,7,14H,1-4,6H2,(H2,11,12,13,15)
InChIKeyUOPOVTFZGUPWBJ-UHFFFAOYSA-N
XLogP-0.28
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730452
5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730463
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136730475
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136730477
5-chloro-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730479
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849677
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871935
4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136956949
4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136957299
4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one
CID 136957311
4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 136959423
4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one
CID 136975419

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one (CID 136730476) is 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one is O=c1cc(NC2(CO)CCOCC2)nc[nH]1.
What is the InChIKey of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is UOPOVTFZGUPWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-6-10(1-3-16-4-2-10)13-8-5-9(15)12-7-11-8/h5,7,14H,1-4,6H2,(H2,11,12,13,15).
What are the key properties of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136730476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).