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

C10H15N3O3 — CID 136957249

IUPAC4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOC1(CNc2cc(=O)[nH]cn2)CCOC1
InChIInChI=1S/C10H15N3O3/c1-15-10(2-3-16-6-10)5-11-8-4-9(14)13-7-12-8/h4,7H,2-3,5-6H2,1H3,(H2,11,12,13,14)
InChIKeyIGSQWMXFQQLLLA-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.01
Rot. Bonds4

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

4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136957249) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136957249
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOC1(CNc2cc(=O)[nH]cn2)CCOC1
InChIInChI=1S/C10H15N3O3/c1-15-10(2-3-16-6-10)5-11-8-4-9(14)13-7-12-8/h4,7H,2-3,5-6H2,1H3,(H2,11,12,13,14)
InChIKeyIGSQWMXFQQLLLA-UHFFFAOYSA-N
XLogP-0.01
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675559
4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136675563
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675570
4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706911
4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852197
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136864252
4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136954502
4-(oxolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136956269
4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956990
5-iodo-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136957246
4-[(3-methoxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136957247
5-bromo-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136957248

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136957249) is 4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one is COC1(CNc2cc(=O)[nH]cn2)CCOC1.
What is the InChIKey of 4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is IGSQWMXFQQLLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-15-10(2-3-16-6-10)5-11-8-4-9(14)13-7-12-8/h4,7H,2-3,5-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).