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

C14H23N3O2 — CID 136824105

IUPAC4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC(C)C2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-9(2)14-16-12(8-13(18)17-14)15-10(3)11-4-6-19-7-5-11/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyJINVZAWOYMUDFG-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.12
Rot. Bonds4

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

4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136824105) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136824105
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC(C)C2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-9(2)14-16-12(8-13(18)17-14)15-10(3)11-4-6-19-7-5-11/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyJINVZAWOYMUDFG-UHFFFAOYSA-N
XLogP2.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Oxan-4-yl)-3,4-dihydropyrimidin-4-one
CID 62385930
6-Amino-2-(oxan-4-yl)-3,4-dihydropyrimidin-4-one
CID 136274150
4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one
CID 136674856
2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
5-methanimidoyl-2-[(2S)-2-methylbutyl]-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 143871180
5-methanimidoyl-2-(2-methylbutyl)-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 143871225
5-methanimidoyl-2-(2-methylpropyl)-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 143871248
2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one
CID 164926662
4-(piperidin-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604864
2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586346
2-methyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586351
4-(aminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274280

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136824105) is 4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC(C)C2CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JINVZAWOYMUDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)14-16-12(8-13(18)17-14)15-10(3)11-4-6-19-7-5-11/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136824105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).