1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one

C12H14N4O — CID 62563638

IUPAC1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one
SMILESO=c1ncccn1CCNCc1cccnc1
InChIInChI=1S/C12H14N4O/c17-12-15-5-2-7-16(12)8-6-14-10-11-3-1-4-13-9-11/h1-5,7,9,14H,6,8,10H2
InChIKeyUFFHPVCMZXFIFL-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.43
Rot. Bonds5

About 1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one

1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one (PubChem CID 62563638) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one
PubChem CID62563638
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one
SMILESO=c1ncccn1CCNCc1cccnc1
InChIInChI=1S/C12H14N4O/c17-12-15-5-2-7-16(12)8-6-14-10-11-3-1-4-13-9-11/h1-5,7,9,14H,6,8,10H2
InChIKeyUFFHPVCMZXFIFL-UHFFFAOYSA-N
XLogP0.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 115590423
1-methyl-4-[2-(pyridin-3-ylmethylamino)ethyl]pyrazine-2,3-dione
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2-[2-(pyridin-3-ylmethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272841
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66411498
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63255523
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
1-[2-(pyridin-3-ylmethylamino)ethyl]indole-5-carbonitrile
CID 107920082
3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione
CID 65297533
4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
CID 82257248

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one (CID 62563638) is 1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one is O=c1ncccn1CCNCc1cccnc1.
What is the InChIKey of 1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one?
The InChIKey is UFFHPVCMZXFIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12-15-5-2-7-16(12)8-6-14-10-11-3-1-4-13-9-11/h1-5,7,9,14H,6,8,10H2.
What are the key properties of 1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one?
1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 62563638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).