2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one

C8H15N3O — CID 6621267

IUPAC2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC(C)CC1CC(=O)NC(N)=N1
InChIInChI=1S/C8H15N3O/c1-5(2)3-6-4-7(12)11-8(9)10-6/h5-6H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyCADOGKVSDSOXSO-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.24
Rot. Bonds2

About 2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one

2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 6621267) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID6621267
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC(C)CC1CC(=O)NC(N)=N1
InChIInChI=1S/C8H15N3O/c1-5(2)3-6-4-7(12)11-8(9)10-6/h5-6H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyCADOGKVSDSOXSO-UHFFFAOYSA-N
XLogP0.24
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one (CID 6621267) is 2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one is CC(C)CC1CC(=O)NC(N)=N1.
What is the InChIKey of 2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is CADOGKVSDSOXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5(2)3-6-4-7(12)11-8(9)10-6/h5-6H,3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one?
2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 169.23 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylpropyl)-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 6621267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).