2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

C12H19N3O2 — CID 114206284

IUPAC2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)NCc1cnc(C2CCCO2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-8(2)13-6-9-7-14-11(15-12(9)16)10-4-3-5-17-10/h7-8,10,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyOPACZTVWAUUQCH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.12
Rot. Bonds4

About 2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 114206284) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID114206284
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)NCc1cnc(C2CCCO2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-8(2)13-6-9-7-14-11(15-12(9)16)10-4-3-5-17-10/h7-8,10,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyOPACZTVWAUUQCH-UHFFFAOYSA-N
XLogP1.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carbonitrile
CID 104189810
5-(aminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 104189929
5-(aminomethyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 104189996
2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 110849535
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-(aminomethyl)-1H-pyrimidin-6-one
CID 113385095
5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 114206228
5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 114206240
2-[cyclopropyl(ethoxy)methyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206254
2-(1-ethoxyethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206258
2-(1-ethoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206265
2-[cyclopropyl(methoxy)methyl]-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206278
2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206298

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (CID 114206284) is 2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is CC(C)NCc1cnc(C2CCCO2)[nH]c1=O.
What is the InChIKey of 2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is OPACZTVWAUUQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)13-6-9-7-14-11(15-12(9)16)10-4-3-5-17-10/h7-8,10,13H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114206284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).