4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one

C10H15N3O3 — CID 136675563

IUPAC4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC2(O)CCOC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-7-12-8(4-9(14)13-7)11-5-10(15)2-3-16-6-10/h4,15H,2-3,5-6H2,1H3,(H2,11,12,13,14)
InChIKeyKTVRXEIJULLACY-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.36
Rot. Bonds3

About 4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one

4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136675563) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136675563
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC2(O)CCOC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-7-12-8(4-9(14)13-7)11-5-10(15)2-3-16-6-10/h4,15H,2-3,5-6H2,1H3,(H2,11,12,13,14)
InChIKeyKTVRXEIJULLACY-UHFFFAOYSA-N
XLogP-0.36
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 ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675559
2-ethyl-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675562
4-[(3-hydroxyoxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136675566
2-cyclopropyl-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675568
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675570
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136675573
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136675576
2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675578
4-[(3-hydroxy-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136805770
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136864248
2-ethyl-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136864250
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136864251

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136675563) is 4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCC2(O)CCOC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KTVRXEIJULLACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-12-8(4-9(14)13-7)11-5-10(15)2-3-16-6-10/h4,15H,2-3,5-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(3-hydroxyoxolan-3-yl)methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of -0.36, 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]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136675563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).