4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O2 — CID 136976688

IUPAC4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CCOC(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-9(2)13-16-11(7-12(18)17-13)15-10-5-6-19-14(3,4)8-10/h7,9-10H,5-6,8H2,1-4H3,(H2,15,16,17,18)
InChIKeyNQQSZUITKNGGRH-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.26
Rot. Bonds3

About 4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136976688) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136976688
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CCOC(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-9(2)13-16-11(7-12(18)17-13)15-10-5-6-19-14(3,4)8-10/h7,9-10H,5-6,8H2,1-4H3,(H2,15,16,17,18)
InChIKeyNQQSZUITKNGGRH-UHFFFAOYSA-N
XLogP2.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

4-[(2,2-dimethyloxan-4-yl)amino]-5-methanimidoyl-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136467699
2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
5-methanimidoyl-4-[[(2R,4R)-2-methyloxan-4-yl]amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 143871202
5-methanimidoyl-4-[(2-methyloxan-4-yl)amino]-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 143871253
2-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136545211
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136696617
2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738998
4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136754607
2-ethyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824102
2-methyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824103
4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136824105
2-methyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857174

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136976688) is 4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC2CCOC(C)(C)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NQQSZUITKNGGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)13-16-11(7-12(18)17-13)15-10-5-6-19-14(3,4)8-10/h7,9-10H,5-6,8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyloxan-4-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136976688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).