4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

C10H15N3O3 — CID 136675570

IUPAC4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1OCCC1(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c1-7-10(15,2-3-16-7)5-11-8-4-9(14)13-6-12-8/h4,6-7,15H,2-3,5H2,1H3,(H2,11,12,13,14)
InChIKeyHMHRVVGZBDXXCF-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.28
Rot. Bonds3

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

4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136675570) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136675570
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1OCCC1(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O3/c1-7-10(15,2-3-16-7)5-11-8-4-9(14)13-6-12-8/h4,6-7,15H,2-3,5H2,1H3,(H2,11,12,13,14)
InChIKeyHMHRVVGZBDXXCF-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

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Related Compounds

2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114143620
4-[(1-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136956636
4-[(1-ethylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857200
3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103235
3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107269638
6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 106102384
2-methyl-3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]oxolan-3-ol
CID 106103458
3-[[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol
CID 106103503
2-methyl-3-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103450
6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid
CID 114143627
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 114143335
3-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol
CID 106102769

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136675570) is 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is CC1OCCC1(O)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is HMHRVVGZBDXXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-10(15,2-3-16-7)5-11-8-4-9(14)13-6-12-8/h4,6-7,15H,2-3,5H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-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-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136675570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).