2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile

C14H14F2N4O — CID 154932737

IUPAC2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile
SMILESCCc1nc2c(F)cc(NC(C)(C)C#N)cn2c(=O)c1F
InChIInChI=1S/C14H14F2N4O/c1-4-10-11(16)13(21)20-6-8(19-14(2,3)7-17)5-9(15)12(20)18-10/h5-6,19H,4H2,1-3H3
InChIKeyFVUQAUGRLLBXDR-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.25
Rot. Bonds3

About 2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile

2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile (PubChem CID 154932737) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile
PubChem CID154932737
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile
SMILESCCc1nc2c(F)cc(NC(C)(C)C#N)cn2c(=O)c1F
InChIInChI=1S/C14H14F2N4O/c1-4-10-11(16)13(21)20-6-8(19-14(2,3)7-17)5-9(15)12(20)18-10/h5-6,19H,4H2,1-3H3
InChIKeyFVUQAUGRLLBXDR-UHFFFAOYSA-N
XLogP2.25
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile?
The IUPAC name of 2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile (CID 154932737) is 2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile?
The canonical SMILES for 2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile is CCc1nc2c(F)cc(NC(C)(C)C#N)cn2c(=O)c1F.
What is the InChIKey of 2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile?
The InChIKey is FVUQAUGRLLBXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-4-10-11(16)13(21)20-6-8(19-14(2,3)7-17)5-9(15)12(20)18-10/h5-6,19H,4H2,1-3H3.
What are the key properties of 2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile?
2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile has a molecular weight of 292.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 154932737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).