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

C9H16N4O — CID 84667045

IUPAC2-(2-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
SMILESCN(C)c1cc(=O)n(C)c(CCN)n1
InChIInChI=1S/C9H16N4O/c1-12(2)8-6-9(14)13(3)7(11-8)4-5-10/h6H,4-5,10H2,1-3H3
InChIKeyBCGLUEDUWFSEQN-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.65
Rot. Bonds3

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

2-(2-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one (PubChem CID 84667045) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
PubChem CID84667045
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(2-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
SMILESCN(C)c1cc(=O)n(C)c(CCN)n1
InChIInChI=1S/C9H16N4O/c1-12(2)8-6-9(14)13(3)7(11-8)4-5-10/h6H,4-5,10H2,1-3H3
InChIKeyBCGLUEDUWFSEQN-UHFFFAOYSA-N
XLogP-0.65
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-Amino-6-hydroxypyrimidin-2-YL)ethyl]-2,2-dimethylpropanamide
CID 136664803
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
4-[(3-amino-2,2-difluoropropyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136979146
4-[(3-amino-2,2-difluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979152
2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one
CID 137262841
N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 18768451
N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide
CID 123566933
4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135797587
3-Ethyl-6-(ethylamino)-2-methylpyrimidin-4-one
CID 12352076
2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one
CID 43654586
2-[2-(diethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 63611915
3-(3-Aminopropyl)-2,6-dimethylpyrimidin-4-one
CID 63768645

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
The IUPAC name of 2-(2-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one (CID 84667045) is 2-(2-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-(2-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one is CN(C)c1cc(=O)n(C)c(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
The InChIKey is BCGLUEDUWFSEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12(2)8-6-9(14)13(3)7(11-8)4-5-10/h6H,4-5,10H2,1-3H3.
What are the key properties of 2-(2-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one?
2-(2-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one has a molecular weight of 196.25 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 84667045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).