2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one

C10H17N3O2 — CID 135995680

IUPAC2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(CNC)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-4-15-7(2)10-12-8(6-11-3)5-9(14)13-10/h5,7,11H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyNQVDOHFWEMBHDS-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.59
Rot. Bonds5

About 2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one

2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 135995680) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID135995680
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(CNC)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-4-15-7(2)10-12-8(6-11-3)5-9(14)13-10/h5,7,11H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyNQVDOHFWEMBHDS-UHFFFAOYSA-N
XLogP0.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.59
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-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one (CID 135995680) is 2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one is CCOC(C)c1nc(CNC)cc(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is NQVDOHFWEMBHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-7(2)10-12-8(6-11-3)5-9(14)13-10/h5,7,11H,4,6H2,1-3H3,(H,12,13,14).
What are the key properties of 2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135995680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).