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

C14H23N3O2 — CID 136754607

IUPAC4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCC2CCCCO2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-10(2)14-16-12(9-13(18)17-14)15-7-6-11-5-3-4-8-19-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyYMUDTVKRJKTPCE-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.26
Rot. Bonds5

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

4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136754607) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136754607
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCC2CCCCO2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-10(2)14-16-12(9-13(18)17-14)15-7-6-11-5-3-4-8-19-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyYMUDTVKRJKTPCE-UHFFFAOYSA-N
XLogP2.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249108
5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 114206191
4-(2-piperidin-2-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586376
4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136569055
4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730161
4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730163
2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754603
2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754605
4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754606
4-(5-methoxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136786676
4-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136852158

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136754607) is 4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCC2CCCCO2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is YMUDTVKRJKTPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)14-16-12(9-13(18)17-14)15-7-6-11-5-3-4-8-19-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136754607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).