2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile

C14H15FN4O — CID 149143999

IUPAC2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile
SMILESCCc1cc(=O)n2cc(NC(C)(C)C#N)cc(F)c2n1
InChIInChI=1S/C14H15FN4O/c1-4-9-6-12(20)19-7-10(18-14(2,3)8-16)5-11(15)13(19)17-9/h5-7,18H,4H2,1-3H3
InChIKeyRJKDXPSZLFBTDJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.11
Rot. Bonds3

About 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile

2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile (PubChem CID 149143999) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile
PubChem CID149143999
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile
SMILESCCc1cc(=O)n2cc(NC(C)(C)C#N)cc(F)c2n1
InChIInChI=1S/C14H15FN4O/c1-4-9-6-12(20)19-7-10(18-14(2,3)8-16)5-11(15)13(19)17-9/h5-7,18H,4H2,1-3H3
InChIKeyRJKDXPSZLFBTDJ-UHFFFAOYSA-N
XLogP2.11
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile?
The IUPAC name of 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile (CID 149143999) is 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile?
The canonical SMILES for 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile is CCc1cc(=O)n2cc(NC(C)(C)C#N)cc(F)c2n1.
What is the InChIKey of 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile?
The InChIKey is RJKDXPSZLFBTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-4-9-6-12(20)19-7-10(18-14(2,3)8-16)5-11(15)13(19)17-9/h5-7,18H,4H2,1-3H3.
What are the key properties of 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile?
2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile has a molecular weight of 274.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 149143999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).