1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione

C12H14N4O2 — CID 62564407

IUPAC1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCNCc2ccccn2)c(=O)[nH]1
InChIInChI=1S/C12H14N4O2/c17-11-4-7-16(12(18)15-11)8-6-13-9-10-3-1-2-5-14-10/h1-5,7,13H,6,8-9H2,(H,15,17,18)
InChIKeyFBOZCELCAZOHHQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.28
Rot. Bonds5

About 1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione

1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione (PubChem CID 62564407) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione
PubChem CID62564407
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCNCc2ccccn2)c(=O)[nH]1
InChIInChI=1S/C12H14N4O2/c17-11-4-7-16(12(18)15-11)8-6-13-9-10-3-1-2-5-14-10/h1-5,7,13H,6,8-9H2,(H,15,17,18)
InChIKeyFBOZCELCAZOHHQ-UHFFFAOYSA-N
XLogP-0.28
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[2-(pyridin-2-ylmethylamino)ethyl]pyrazine-2,3-dione
CID 62927880
1-(2-pyridin-2-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403256
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
2-(4,5-dimethylimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62567738
1-[2-[(3-methyl-2-phenylbutyl)amino]ethyl]pyrimidine-2,4-dione
CID 154769752
1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63811231
N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide
CID 130431983
1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione
CID 62563033
2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine
CID 100924247
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814
2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62564103
2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 55024068

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione (CID 62564407) is 1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione is O=c1ccn(CCNCc2ccccn2)c(=O)[nH]1.
What is the InChIKey of 1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione?
The InChIKey is FBOZCELCAZOHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-11-4-7-16(12(18)15-11)8-6-13-9-10-3-1-2-5-14-10/h1-5,7,13H,6,8-9H2,(H,15,17,18).
What are the key properties of 1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione?
1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyridin-2-ylmethylamino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62564407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).