4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O2 — CID 136905796

IUPAC4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC1OCCC1CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-4-11-10(5-6-19-11)8-15-12-7-13(18)17-14(16-12)9(2)3/h7,9-11H,4-6,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyIZPIFULEBNKDCV-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.12
Rot. Bonds5

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

4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136905796) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136905796
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC1OCCC1CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-4-11-10(5-6-19-11)8-15-12-7-13(18)17-14(16-12)9(2)3/h7,9-11H,4-6,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyIZPIFULEBNKDCV-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-ethyl-3-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]acetamide
CID 91392470
4-[2-(aminomethyl)cyclopentyl]oxy-2-ethyl-1H-pyrimidin-6-one
CID 113604886
4-[2-(aminomethyl)cyclopentyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586506
4-[(2-methylpropylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095477
4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136696601
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136696617
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136754607
2-methyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786678
2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786682
2-ethyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786684

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136905796) is 4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CCC1OCCC1CNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is IZPIFULEBNKDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-11-10(5-6-19-11)8-15-12-7-13(18)17-14(16-12)9(2)3/h7,9-11H,4-6,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136905796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).