4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one

C9H15N3O — CID 83846623

IUPAC4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(C(N)C(C)C)nc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-5(2)8(10)7-4-6(3)11-9(13)12-7/h4-5,8H,10H2,1-3H3,(H,11,12,13)
InChIKeyZGAIKMCIICUYSN-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.73
Rot. Bonds2

About 4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one

4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one (PubChem CID 83846623) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one
PubChem CID83846623
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(C(N)C(C)C)nc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-5(2)8(10)7-4-6(3)11-9(13)12-7/h4-5,8H,10H2,1-3H3,(H,11,12,13)
InChIKeyZGAIKMCIICUYSN-UHFFFAOYSA-N
XLogP0.73
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one (CID 83846623) is 4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one is Cc1cc(C(N)C(C)C)nc(=O)[nH]1.
What is the InChIKey of 4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is ZGAIKMCIICUYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5(2)8(10)7-4-6(3)11-9(13)12-7/h4-5,8H,10H2,1-3H3,(H,11,12,13).
What are the key properties of 4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one?
4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 83846623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).