4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one

C9H13N3O2 — CID 136956019

IUPAC4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCCO2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-9-4-8(11-6-12-9)10-5-7-2-1-3-14-7/h4,6-7H,1-3,5H2,(H2,10,11,12,13)
InChIKeyZGNKDSBLGPDFNT-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.36
Rot. Bonds3

About 4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one

4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136956019) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136956019
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCCO2)nc[nH]1
InChIInChI=1S/C9H13N3O2/c13-9-4-8(11-6-12-9)10-5-7-2-1-3-14-7/h4,6-7H,1-3,5H2,(H2,10,11,12,13)
InChIKeyZGNKDSBLGPDFNT-UHFFFAOYSA-N
XLogP0.36
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Tetrahydrofuran-2-ylmethyl)amino]-6-(trifluoromethyl)pyrimidin-4-ol
CID 136388260
2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136901053
2-[[(2R)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136901054
2-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 17999106
3-[2-(Oxolan-2-ylmethylamino)ethyl]pyrimidin-4-one
CID 63795793
2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
CID 92270666
2-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
CID 92270667
2-(6-oxopyrimidin-1(6H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 121064098
5-amino-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 135709704
6-amino-2-[(tetrahydrofuran-2-ylmethyl)amino]pyrimidin-4(3H)-one
CID 136204112
6-Methyl-2-[(tetrahydrofuran-2-ylmethyl)amino]pyrimidin-4-ol
CID 136369599
4-methyl-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
CID 136689112

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one (CID 136956019) is 4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one is O=c1cc(NCC2CCCO2)nc[nH]1.
What is the InChIKey of 4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is ZGNKDSBLGPDFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9-4-8(11-6-12-9)10-5-7-2-1-3-14-7/h4,6-7H,1-3,5H2,(H2,10,11,12,13).
What are the key properties of 4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one?
4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).