6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one

C8H15N3O — CID 3275309

IUPAC6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one
SMILESCCC(C)N1CCC(N)=NC1=O
InChIInChI=1S/C8H15N3O/c1-3-6(2)11-5-4-7(9)10-8(11)12/h6H,3-5H2,1-2H3,(H2,9,10,12)
InChIKeyPYZYLWWXHFRBDO-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.97
Rot. Bonds2

About 6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one

6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one (PubChem CID 3275309) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one.

Molecular Properties

Compound Name6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one
PubChem CID3275309
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one
SMILESCCC(C)N1CCC(N)=NC1=O
InChIInChI=1S/C8H15N3O/c1-3-6(2)11-5-4-7(9)10-8(11)12/h6H,3-5H2,1-2H3,(H2,9,10,12)
InChIKeyPYZYLWWXHFRBDO-UHFFFAOYSA-N
XLogP0.97
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one?
The IUPAC name of 6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one (CID 3275309) is 6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one.
What is the SMILES notation for 6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one?
The canonical SMILES for 6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one is CCC(C)N1CCC(N)=NC1=O.
What is the InChIKey of 6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one?
The InChIKey is PYZYLWWXHFRBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-6(2)11-5-4-7(9)10-8(11)12/h6H,3-5H2,1-2H3,(H2,9,10,12).
What are the key properties of 6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one?
6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one has a molecular weight of 169.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-butan-2-yl-4,5-dihydropyrimidin-2-one is sourced from PubChem (CID 3275309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).