2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one

C8H13N3O2 — CID 136818887

IUPAC2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one
SMILESCCOCc1nc(NC)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-3-13-5-7-10-6(9-2)4-8(12)11-7/h4H,3,5H2,1-2H3,(H2,9,10,11,12)
InChIKeyYGAMURNXYNPUID-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.35
Rot. Bonds4

About 2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one

2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one (PubChem CID 136818887) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one
PubChem CID136818887
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one
SMILESCCOCc1nc(NC)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-3-13-5-7-10-6(9-2)4-8(12)11-7/h4H,3,5H2,1-2H3,(H2,9,10,11,12)
InChIKeyYGAMURNXYNPUID-UHFFFAOYSA-N
XLogP0.35
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one (CID 136818887) is 2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one is CCOCc1nc(NC)cc(=O)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is YGAMURNXYNPUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-13-5-7-10-6(9-2)4-8(12)11-7/h4H,3,5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one?
2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136818887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).