4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C13H21N3O2 — CID 136786685

IUPAC4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCC2CCOC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-9(2)13-15-11(7-12(17)16-13)14-5-3-10-4-6-18-8-10/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyVWZGSGJRGUPOAR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.73
Rot. Bonds5

About 4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136786685) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136786685
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCC2CCOC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-9(2)13-15-11(7-12(17)16-13)14-5-3-10-4-6-18-8-10/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyVWZGSGJRGUPOAR-UHFFFAOYSA-N
XLogP1.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103985970
4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103985979
2-propan-2-yl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113634875
2-ethyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113634888
2-methyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796340
2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796546
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723591
4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723601
2-cyclopropyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723602
2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738998
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136756214
2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756216

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136786685) is 4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCC2CCOC2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is VWZGSGJRGUPOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)13-15-11(7-12(17)16-13)14-5-3-10-4-6-18-8-10/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-3-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136786685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).