1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one

C13H16N4O — CID 55162438

IUPAC1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one
SMILESCCNc1ccc(Cn2cc(C)cnc2=O)cn1
InChIInChI=1S/C13H16N4O/c1-3-14-12-5-4-11(7-15-12)9-17-8-10(2)6-16-13(17)18/h4-8H,3,9H2,1-2H3,(H,14,15)
InChIKeyZHSPIZQYOROEGA-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.43
Rot. Bonds4

About 1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one

1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one (PubChem CID 55162438) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one
PubChem CID55162438
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one
SMILESCCNc1ccc(Cn2cc(C)cnc2=O)cn1
InChIInChI=1S/C13H16N4O/c1-3-14-12-5-4-11(7-15-12)9-17-8-10(2)6-16-13(17)18/h4-8H,3,9H2,1-2H3,(H,14,15)
InChIKeyZHSPIZQYOROEGA-UHFFFAOYSA-N
XLogP1.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-iodophenyl)methyl]-5-methylpyrimidin-2-one
CID 65489922
3-[[6-(ethylamino)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 62207128
5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62207142
1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-nitropyridin-2-one
CID 62193112
3-[[6-(ethylamino)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 62209405
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-methylpyrimidin-2-one
CID 63206789
1-[(2-chloro-4-pyridinyl)methyl]-5-methylpyrimidin-2-one
CID 63205795
5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62194518
5-ethyl-3-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
CID 62207321
N-ethyl-5-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
CID 61224894
N-ethyl-5-(morpholin-4-ylmethyl)pyridin-2-amine
CID 62177527
1-[[2-(ethylamino)-4-pyridinyl]methyl]-5-nitropyrimidin-2-one
CID 104697265

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one?
The IUPAC name of 1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one (CID 55162438) is 1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one is CCNc1ccc(Cn2cc(C)cnc2=O)cn1.
What is the InChIKey of 1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one?
The InChIKey is ZHSPIZQYOROEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-14-12-5-4-11(7-15-12)9-17-8-10(2)6-16-13(17)18/h4-8H,3,9H2,1-2H3,(H,14,15).
What are the key properties of 1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one?
1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one has a molecular weight of 244.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 55162438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).