5-(methylaminomethyl)-1H-pyrimidin-6-one

C6H9N3O — CID 82651173

IUPAC5-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc[nH]c1=O
InChIInChI=1S/C6H9N3O/c1-7-2-5-3-8-4-9-6(5)10/h3-4,7H,2H2,1H3,(H,8,9,10)
InChIKeyOMUOELFXGSKOMU-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.51
Rot. Bonds2

About 5-(methylaminomethyl)-1H-pyrimidin-6-one

5-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 82651173) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID82651173
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc[nH]c1=O
InChIInChI=1S/C6H9N3O/c1-7-2-5-3-8-4-9-6(5)10/h3-4,7H,2H2,1H3,(H,8,9,10)
InChIKeyOMUOELFXGSKOMU-UHFFFAOYSA-N
XLogP-0.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyrimidinol, 5-methyl-
CID 205324
5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
6-Amino-5-methyl-1,4-dihydropyrimidin-4-one
CID 135880323
3,4-Dihydro-4-oxo-5-pyrimidinecarboxamide
CID 817685
5-Ethylpyrimidin-4-ol
CID 12423733
Pyrimidine, 1,6-dihydro-1,5-dimethyl-6-oxo-
CID 20772180
N-(trifluoromethyl)-1,4-dihydropyrimidine-5-carboxamide
CID 69379379
N-methyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide
CID 13468415
4-Hydroxy-5-formylpyrimidine
CID 45080459
N-(2-fluoroethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 133667150
5-(difluoromethyl)-1H-pyrimidin-6-one
CID 157840427
1,4-Dihydropyrimidine-5-carboxamide
CID 13586545

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(methylaminomethyl)-1H-pyrimidin-6-one (CID 82651173) is 5-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(methylaminomethyl)-1H-pyrimidin-6-one is CNCc1cnc[nH]c1=O.
What is the InChIKey of 5-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is OMUOELFXGSKOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-7-2-5-3-8-4-9-6(5)10/h3-4,7H,2H2,1H3,(H,8,9,10).
What are the key properties of 5-(methylaminomethyl)-1H-pyrimidin-6-one?
5-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 139.16 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82651173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).