4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one

C12H19N3O3 — CID 137017319

IUPAC4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1OCCC1CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H19N3O3/c1-3-9-8(4-5-18-9)6-13-11-10(17-2)12(16)15-7-14-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyTVONSXCYAIOLQT-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.01
Rot. Bonds5

About 4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 137017319) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID137017319
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1OCCC1CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H19N3O3/c1-3-9-8(4-5-18-9)6-13-11-10(17-2)12(16)15-7-14-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyTVONSXCYAIOLQT-UHFFFAOYSA-N
XLogP1.01
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(aminomethyl)cyclopentyl]oxy-5-methoxy-1H-pyrimidin-6-one
CID 113604887
4-[(2-cyclopropyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136696600
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704103
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136746820
5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867389
4-(3-cyclopentylpropylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136883399
4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136902394
4-[(2-ethyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136905798
5-chloro-4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905801
4-[(2-ethyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905802

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 137017319) is 4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one is CCC1OCCC1CNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is TVONSXCYAIOLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-9-8(4-5-18-9)6-13-11-10(17-2)12(16)15-7-14-11/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137017319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).