1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one

C9H15N3O — CID 63206277

IUPAC1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC(C)CN)c1
InChIInChI=1S/C9H15N3O/c1-7(3-10)5-12-6-8(2)4-11-9(12)13/h4,6-7H,3,5,10H2,1-2H3
InChIKeyDCNGQEWAWULCKV-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.15
Rot. Bonds3

About 1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one

1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one (PubChem CID 63206277) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one
PubChem CID63206277
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC(C)CN)c1
InChIInChI=1S/C9H15N3O/c1-7(3-10)5-12-6-8(2)4-11-9(12)13/h4,6-7H,3,5,10H2,1-2H3
InChIKeyDCNGQEWAWULCKV-UHFFFAOYSA-N
XLogP0.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one
CID 103366586
1-(2-Aminoethyl)-5-methylpyrimidin-2-one
CID 63206069
1-(3-Amino-2-methylpropyl)pyrimidin-2-one
CID 43367705
1-[4-(Tert-butylamino)butyl]-5-methylpyrimidin-2-one
CID 55162632
1-(3-Azidopropyl)-5-methylpyrimidin-2-one
CID 63205808
1-(2-Aminopropyl)-5-methylpyrimidin-2-one
CID 63205841
5-Methyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one
CID 63205847
1-(2-Aminobutyl)-5-methylpyrimidin-2-one
CID 63205935
5-Methyl-1-[3-(propylamino)propyl]pyrimidin-2-one
CID 63205984
1-[3-(Ethylamino)propyl]-5-methylpyrimidin-2-one
CID 63205985
5-Methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one
CID 63206026
1-[3-(Cyclopropylamino)propyl]-5-methylpyrimidin-2-one
CID 63206027

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one?
The IUPAC name of 1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one (CID 63206277) is 1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one?
The canonical SMILES for 1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CC(C)CN)c1.
What is the InChIKey of 1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one?
The InChIKey is DCNGQEWAWULCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(3-10)5-12-6-8(2)4-11-9(12)13/h4,6-7H,3,5,10H2,1-2H3.
What are the key properties of 1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one?
1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)-5-methylpyrimidin-2-one is sourced from PubChem (CID 63206277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).