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

C6H9N3O — CID 83872299

IUPAC5-(aminomethyl)-3-methylpyrimidin-4-one
SMILESCn1cncc(CN)c1=O
InChIInChI=1S/C6H9N3O/c1-9-4-8-3-5(2-7)6(9)10/h3-4H,2,7H2,1H3
InChIKeyNLSAOLDBTKADHX-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.76
Rot. Bonds1

About 5-(aminomethyl)-3-methylpyrimidin-4-one

5-(aminomethyl)-3-methylpyrimidin-4-one (PubChem CID 83872299) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-(aminomethyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-methylpyrimidin-4-one
PubChem CID83872299
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-(aminomethyl)-3-methylpyrimidin-4-one
SMILESCn1cncc(CN)c1=O
InChIInChI=1S/C6H9N3O/c1-9-4-8-3-5(2-7)6(9)10/h3-4H,2,7H2,1H3
InChIKeyNLSAOLDBTKADHX-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

4-Pyrimidinol, 5-methyl-
CID 205324
3,4-Dihydro-4-oxo-5-pyrimidinecarboxamide
CID 817685
5-Ethylpyrimidin-4-ol
CID 12423733
Pyrimidine, 1,4-dihydro-1,5-dimethyl-4-oxo-
CID 20772154
Pyrimidine, 1,6-dihydro-1,5-dimethyl-6-oxo-
CID 20772180
1,4-Dihydropyrimidine-5-carboxamide
CID 13586545
3,5-dimethyl-1H-pyrimidin-3-ium-6-one
CID 21021531
ethane;5-methyl-1H-pyrimidin-6-one;propan-2-one
CID 53859585
2-Amino-1,5-dimethylpyrimidin-4-one
CID 68035821
3-Ethyl-5-methylpyrimidin-4-one
CID 89410488
1,4-Dihydropyrimidine-5-carboxamide;hydrochloride
CID 90101643
5-((Methylamino)methyl)-2-selenoxo-2,3-dihydropyrimidin-4(1H)-one
CID 90220663

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-methylpyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-3-methylpyrimidin-4-one (CID 83872299) is 5-(aminomethyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-3-methylpyrimidin-4-one is Cn1cncc(CN)c1=O.
What is the InChIKey of 5-(aminomethyl)-3-methylpyrimidin-4-one?
The InChIKey is NLSAOLDBTKADHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9-4-8-3-5(2-7)6(9)10/h3-4H,2,7H2,1H3.
What are the key properties of 5-(aminomethyl)-3-methylpyrimidin-4-one?
5-(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 5-(aminomethyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 83872299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).