1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one

C14H18N4O — CID 62466498

IUPAC1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one
SMILESCCNc1cc(Cn2c(C)cc(C)nc2=O)ccn1
InChIInChI=1S/C14H18N4O/c1-4-15-13-8-12(5-6-16-13)9-18-11(3)7-10(2)17-14(18)19/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyYYEOKSAJMCJYHS-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.74
Rot. Bonds4

About 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one

1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 62466498) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one
PubChem CID62466498
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one
SMILESCCNc1cc(Cn2c(C)cc(C)nc2=O)ccn1
InChIInChI=1S/C14H18N4O/c1-4-15-13-8-12(5-6-16-13)9-18-11(3)7-10(2)17-14(18)19/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyYYEOKSAJMCJYHS-UHFFFAOYSA-N
XLogP1.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(ethylamino)-2-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one
CID 79250857
3-[[2-(ethylamino)-4-pyridinyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63310569
3-[[2-(ethylamino)-4-pyridinyl]methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342277
1-[[2-(ethylamino)-4-pyridinyl]methyl]quinoxalin-2-one
CID 62465256
1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one
CID 16782206
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62466356
2-[[2-(ethylamino)-4-pyridinyl]methyl]pyridazin-3-one
CID 62850152
2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one
CID 62465252
4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one
CID 80654493
1-[(3-bromo-4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-2-one
CID 54971038
3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
CID 62466141
N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465995

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one (CID 62466498) is 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one is CCNc1cc(Cn2c(C)cc(C)nc2=O)ccn1.
What is the InChIKey of 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is YYEOKSAJMCJYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-15-13-8-12(5-6-16-13)9-18-11(3)7-10(2)17-14(18)19/h5-8H,4,9H2,1-3H3,(H,15,16).
What are the key properties of 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one?
1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 62466498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).