2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile

C14H16N4O — CID 51098372

IUPAC2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile
SMILESCCN(CC#N)Cc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C14H16N4O/c1-3-17(7-6-15)10-12-8-14(19)18-9-11(2)4-5-13(18)16-12/h4-5,8-9H,3,7,10H2,1-2H3
InChIKeyAHEJJMBYDKIHQY-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.35
Rot. Bonds4

About 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile

2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile (PubChem CID 51098372) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile
PubChem CID51098372
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile
SMILESCCN(CC#N)Cc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C14H16N4O/c1-3-17(7-6-15)10-12-8-14(19)18-9-11(2)4-5-13(18)16-12/h4-5,8-9H,3,7,10H2,1-2H3
InChIKeyAHEJJMBYDKIHQY-UHFFFAOYSA-N
XLogP1.35
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
7-Methyl-2-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2439152
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-ethyl-2-methyl-, monohydrochloride
CID 3053744
2-(Chloromethyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2434807
3-Ethyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 23345425
2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824
7-Methyl-2-(1-piperidylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 390351
2-{[Bis(2-hydroxyethyl)amino]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 390354
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43064465
3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 3053745
3-Ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527404
3-Ethyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527406

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile?
The IUPAC name of 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile (CID 51098372) is 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile.
What is the SMILES notation for 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile?
The canonical SMILES for 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile is CCN(CC#N)Cc1cc(=O)n2cc(C)ccc2n1.
What is the InChIKey of 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile?
The InChIKey is AHEJJMBYDKIHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-17(7-6-15)10-12-8-14(19)18-9-11(2)4-5-13(18)16-12/h4-5,8-9H,3,7,10H2,1-2H3.
What are the key properties of 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile?
2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile is sourced from PubChem (CID 51098372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).