2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one

C7H13N3O — CID 131731835

IUPAC2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one
SMILESCCC1CC(=O)N(C)C(N)=N1
InChIInChI=1S/C7H13N3O/c1-3-5-4-6(11)10(2)7(8)9-5/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyKASQRCSCGUMFTF-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.06
Rot. Bonds1

About 2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one

2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one (PubChem CID 131731835) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one
PubChem CID131731835
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one
SMILESCCC1CC(=O)N(C)C(N)=N1
InChIInChI=1S/C7H13N3O/c1-3-5-4-6(11)10(2)7(8)9-5/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyKASQRCSCGUMFTF-UHFFFAOYSA-N
XLogP-0.06
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one (CID 131731835) is 2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one is CCC1CC(=O)N(C)C(N)=N1.
What is the InChIKey of 2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one?
The InChIKey is KASQRCSCGUMFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-5-4-6(11)10(2)7(8)9-5/h5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one?
2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one has a molecular weight of 155.20 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-1-methyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 131731835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).