2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one

C8H13N3O — CID 83873636

IUPAC2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one
SMILESCNCc1cnc(C)n(C)c1=O
InChIInChI=1S/C8H13N3O/c1-6-10-5-7(4-9-2)8(12)11(6)3/h5,9H,4H2,1-3H3
InChIKeyTVHWMYGUAPAOIM-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.19
Rot. Bonds2

About 2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one

2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one (PubChem CID 83873636) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one
PubChem CID83873636
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one
SMILESCNCc1cnc(C)n(C)c1=O
InChIInChI=1S/C8H13N3O/c1-6-10-5-7(4-9-2)8(12)11(6)3/h5,9H,4H2,1-3H3
InChIKeyTVHWMYGUAPAOIM-UHFFFAOYSA-N
XLogP-0.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2,5-Dimethylpyrimidin-4-ol
CID 242454
4-amino-5-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one
CID 137297951
5-(propylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206257
5-(propylaminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206280
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-Ethyl-3,5-dimethyl-6-(methylamino)pyrimidin-4-one
CID 18334338
3-Ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one
CID 18334352
6-(Ethylamino)-2,3,5-trimethylpyrimidin-4-one
CID 18334378
2-Ethyl-5-methylpyrimidin-4(1H)-one
CID 18360616
3,5-dimethyl-1H-pyrimidin-3-ium-6-one
CID 21021531
5-Methyl-2-(propan-2-yl)pyrimidin-4-ol
CID 24903844

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one (CID 83873636) is 2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one is CNCc1cnc(C)n(C)c1=O.
What is the InChIKey of 2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one?
The InChIKey is TVHWMYGUAPAOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-10-5-7(4-9-2)8(12)11(6)3/h5,9H,4H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one?
2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one has a molecular weight of 167.21 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(methylaminomethyl)pyrimidin-4-one is sourced from PubChem (CID 83873636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).