methyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate

C15H18ClN3O3 — CID 147503178

IUPACmethyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCc1cc(=O)n2cc(NC(C)(C)C(=O)OC)cc(Cl)c2n1
InChIInChI=1S/C15H18ClN3O3/c1-5-9-7-12(20)19-8-10(6-11(16)13(19)17-9)18-15(2,3)14(21)22-4/h6-8,18H,5H2,1-4H3
InChIKeyFHUZLKRSEGAIFW-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.27
Rot. Bonds4

About methyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate

methyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate (PubChem CID 147503178) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is methyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
PubChem CID147503178
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Namemethyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCc1cc(=O)n2cc(NC(C)(C)C(=O)OC)cc(Cl)c2n1
InChIInChI=1S/C15H18ClN3O3/c1-5-9-7-12(20)19-8-10(6-11(16)13(19)17-9)18-15(2,3)14(21)22-4/h6-8,18H,5H2,1-4H3
InChIKeyFHUZLKRSEGAIFW-UHFFFAOYSA-N
XLogP2.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate (CID 147503178) is methyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate is CCc1cc(=O)n2cc(NC(C)(C)C(=O)OC)cc(Cl)c2n1.
What is the InChIKey of methyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The InChIKey is FHUZLKRSEGAIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-5-9-7-12(20)19-8-10(6-11(16)13(19)17-9)18-15(2,3)14(21)22-4/h6-8,18H,5H2,1-4H3.
What are the key properties of methyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
methyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate has a molecular weight of 323.78 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 147503178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).