2-(aminomethyl)-3-methylpyrimidin-4-one

C6H9N3O — CID 83872298

IUPAC2-(aminomethyl)-3-methylpyrimidin-4-one
SMILESCn1c(CN)nccc1=O
InChIInChI=1S/C6H9N3O/c1-9-5(4-7)8-3-2-6(9)10/h2-3H,4,7H2,1H3
InChIKeyUVQBHMDOSQUGHE-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.76
Rot. Bonds1

About 2-(aminomethyl)-3-methylpyrimidin-4-one

2-(aminomethyl)-3-methylpyrimidin-4-one (PubChem CID 83872298) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-methylpyrimidin-4-one
PubChem CID83872298
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-(aminomethyl)-3-methylpyrimidin-4-one
SMILESCn1c(CN)nccc1=O
InChIInChI=1S/C6H9N3O/c1-9-5(4-7)8-3-2-6(9)10/h2-3H,4,7H2,1H3
InChIKeyUVQBHMDOSQUGHE-UHFFFAOYSA-N
XLogP-0.76
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dimethyl-4(3H)-pyrimidinone
CID 544933
3-(2-Aminoethyl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 121553855
2-(Aminomethyl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 122360074
1-Ethyl-2-methyl-1,4-dihydropyrimidin-4-one
CID 130153255
6-Amino-2,3-dimethyl-4(3H)-pyrimidinone
CID 12778112
2-(Aminomethyl)pyrimidin-4(3H)-one
CID 63362691
3-Ethyl-2-methylpyrimidin-4-one
CID 295916
5-Amino-2-methyl-3-prop-2-enylpyrimidin-4-one
CID 22943391
2-Ethenyl-3-methylpyrimidin-4-one
CID 57992223
2-Methanidyl-3-methylpyrimidin-4-one;yttrium
CID 58896611
2-Ethyl-3-methylpyrimidin-4-one
CID 59416429
3-[2-(Methylamino)ethyl]pyrimidin-4-one
CID 63768123

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methylpyrimidin-4-one?
The IUPAC name of 2-(aminomethyl)-3-methylpyrimidin-4-one (CID 83872298) is 2-(aminomethyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-(aminomethyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-(aminomethyl)-3-methylpyrimidin-4-one is Cn1c(CN)nccc1=O.
What is the InChIKey of 2-(aminomethyl)-3-methylpyrimidin-4-one?
The InChIKey is UVQBHMDOSQUGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9-5(4-7)8-3-2-6(9)10/h2-3H,4,7H2,1H3.
What are the key properties of 2-(aminomethyl)-3-methylpyrimidin-4-one?
2-(aminomethyl)-3-methylpyrimidin-4-one has a molecular weight of 139.16 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 83872298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).