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

C7H11N3O — CID 135973624

IUPAC4-ethyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(NC)n1
InChIInChI=1S/C7H11N3O/c1-3-5-4-6(11)10-7(8-2)9-5/h4H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyZPMSKSOHQRBMBI-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.37
Rot. Bonds2

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

4-ethyl-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 135973624) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-ethyl-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID135973624
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name4-ethyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(NC)n1
InChIInChI=1S/C7H11N3O/c1-3-5-4-6(11)10-7(8-2)9-5/h4H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyZPMSKSOHQRBMBI-UHFFFAOYSA-N
XLogP0.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-(methylamino)-1H-pyrimidin-6-one (CID 135973624) is 4-ethyl-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-(methylamino)-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(NC)n1.
What is the InChIKey of 4-ethyl-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is ZPMSKSOHQRBMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-5-4-6(11)10-7(8-2)9-5/h4H,3H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-ethyl-2-(methylamino)-1H-pyrimidin-6-one?
4-ethyl-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 153.18 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135973624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).