2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

C13H23N3O2 — CID 135995650

IUPAC2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(CNCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-5-18-10(4)13-15-11(6-12(17)16-13)8-14-7-9(2)3/h6,9-10,14H,5,7-8H2,1-4H3,(H,15,16,17)
InChIKeyRTXYYWFKWJDCNU-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.61
Rot. Bonds7

About 2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 135995650) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
PubChem CID135995650
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(CNCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-5-18-10(4)13-15-11(6-12(17)16-13)8-14-7-9(2)3/h6,9-10,14H,5,7-8H2,1-4H3,(H,15,16,17)
InChIKeyRTXYYWFKWJDCNU-UHFFFAOYSA-N
XLogP1.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (CID 135995650) is 2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is CCOC(C)c1nc(CNCC(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is RTXYYWFKWJDCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-18-10(4)13-15-11(6-12(17)16-13)8-14-7-9(2)3/h6,9-10,14H,5,7-8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135995650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).