4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one

C9H13N3O3 — CID 136675559

IUPAC4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(O)CCOC2)nc[nH]1
InChIInChI=1S/C9H13N3O3/c13-8-3-7(11-6-12-8)10-4-9(14)1-2-15-5-9/h3,6,14H,1-2,4-5H2,(H2,10,11,12,13)
InChIKeyZWWYJSZQMPSPJN-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.67
Rot. Bonds3

About 4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one

4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136675559) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136675559
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(O)CCOC2)nc[nH]1
InChIInChI=1S/C9H13N3O3/c13-8-3-7(11-6-12-8)10-4-9(14)1-2-15-5-9/h3,6,14H,1-2,4-5H2,(H2,10,11,12,13)
InChIKeyZWWYJSZQMPSPJN-UHFFFAOYSA-N
XLogP-0.67
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675560
2-ethyl-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675562
4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136675563
4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136675564
5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675565
4-[(3-hydroxyoxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136675566
5-chloro-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675567
2-cyclopropyl-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675568
4-[(3-hydroxyoxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136675569
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675570
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136675579
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136864252

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136675559) is 4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one is O=c1cc(NCC2(O)CCOC2)nc[nH]1.
What is the InChIKey of 4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is ZWWYJSZQMPSPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-8-3-7(11-6-12-8)10-4-9(14)1-2-15-5-9/h3,6,14H,1-2,4-5H2,(H2,10,11,12,13).
What are the key properties of 4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 211.22 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136675559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).