2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one

C8H14N4O — CID 84658554

IUPAC2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
SMILESCN(C)c1cc(=O)n(C)c(CN)n1
InChIInChI=1S/C8H14N4O/c1-11(2)6-4-8(13)12(3)7(5-9)10-6/h4H,5,9H2,1-3H3
InChIKeyUABAJBTXUZOPAO-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.69
Rot. Bonds2

About 2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one

2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one (PubChem CID 84658554) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
PubChem CID84658554
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
SMILESCN(C)c1cc(=O)n(C)c(CN)n1
InChIInChI=1S/C8H14N4O/c1-11(2)6-4-8(13)12(3)7(5-9)10-6/h4H,5,9H2,1-3H3
InChIKeyUABAJBTXUZOPAO-UHFFFAOYSA-N
XLogP-0.69
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-2,3-dimethyl-4(3H)-pyrimidinone
CID 12778112
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136728229
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136932129
N-methyl-N-[2-(2-methyl-4-oxopyrimidin-1-yl)ethyl]acetamide
CID 130451917
4-Amino-6-oxo-1-propylpyrimidine-2-carboxamide
CID 173128226
3-Ethyl-6-(ethylamino)-2-methylpyrimidin-4-one
CID 12352076
3-[2-[2-(Diethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one
CID 55235494
2,6-Dimethyl-3-[2-(methylamino)ethyl]pyrimidin-4-one
CID 63768299
3-(2-Aminoethyl)-2,6-dimethylpyrimidin-4-one
CID 63770218
3-[2-[2-(Dimethylamino)ethylamino]ethyl]-2,6-dimethylpyrimidin-4-one
CID 63794733
3-(1-Aminopropan-2-yl)-2,6-dimethylpyrimidin-4-one
CID 82168026
2-(Aminomethyl)-3-methylpyrimidin-4-one
CID 83872298

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
The IUPAC name of 2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one (CID 84658554) is 2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one is CN(C)c1cc(=O)n(C)c(CN)n1.
What is the InChIKey of 2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
The InChIKey is UABAJBTXUZOPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-11(2)6-4-8(13)12(3)7(5-9)10-6/h4H,5,9H2,1-3H3.
What are the key properties of 2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one has a molecular weight of 182.23 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 84658554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).