4-amino-3-ethyl-1,4-dihydropyrimidin-2-one

C6H11N3O — CID 55291156

IUPAC4-amino-3-ethyl-1,4-dihydropyrimidin-2-one
SMILESCCN1C(=O)NC=CC1N
InChIInChI=1S/C6H11N3O/c1-2-9-5(7)3-4-8-6(9)10/h3-5H,2,7H2,1H3,(H,8,10)
InChIKeyZSXLEUDWHWPKSJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.17
Rot. Bonds1

About 4-amino-3-ethyl-1,4-dihydropyrimidin-2-one

4-amino-3-ethyl-1,4-dihydropyrimidin-2-one (PubChem CID 55291156) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-amino-3-ethyl-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-3-ethyl-1,4-dihydropyrimidin-2-one
PubChem CID55291156
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name4-amino-3-ethyl-1,4-dihydropyrimidin-2-one
SMILESCCN1C(=O)NC=CC1N
InChIInChI=1S/C6H11N3O/c1-2-9-5(7)3-4-8-6(9)10/h3-5H,2,7H2,1H3,(H,8,10)
InChIKeyZSXLEUDWHWPKSJ-UHFFFAOYSA-N
XLogP-0.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-1,4-dihydropyrimidin-2-one?
The IUPAC name of 4-amino-3-ethyl-1,4-dihydropyrimidin-2-one (CID 55291156) is 4-amino-3-ethyl-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 4-amino-3-ethyl-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 4-amino-3-ethyl-1,4-dihydropyrimidin-2-one is CCN1C(=O)NC=CC1N.
What is the InChIKey of 4-amino-3-ethyl-1,4-dihydropyrimidin-2-one?
The InChIKey is ZSXLEUDWHWPKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-9-5(7)3-4-8-6(9)10/h3-5H,2,7H2,1H3,(H,8,10).
What are the key properties of 4-amino-3-ethyl-1,4-dihydropyrimidin-2-one?
4-amino-3-ethyl-1,4-dihydropyrimidin-2-one has a molecular weight of 141.17 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 55291156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).