methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate

C15H19N3O4 — CID 147304410

IUPACmethyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCc1nc2ccc(NC(C)(C)C(=O)OC)cn2c(=O)c1O
InChIInChI=1S/C15H19N3O4/c1-5-10-12(19)13(20)18-8-9(6-7-11(18)16-10)17-15(2,3)14(21)22-4/h6-8,17,19H,5H2,1-4H3
InChIKeyCWSLFUASAGVZQG-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.33
Rot. Bonds4

About methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate

methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate (PubChem CID 147304410) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
PubChem CID147304410
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemethyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCc1nc2ccc(NC(C)(C)C(=O)OC)cn2c(=O)c1O
InChIInChI=1S/C15H19N3O4/c1-5-10-12(19)13(20)18-8-9(6-7-11(18)16-10)17-15(2,3)14(21)22-4/h6-8,17,19H,5H2,1-4H3
InChIKeyCWSLFUASAGVZQG-UHFFFAOYSA-N
XLogP1.33
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate (CID 147304410) is methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate is CCc1nc2ccc(NC(C)(C)C(=O)OC)cn2c(=O)c1O.
What is the InChIKey of methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The InChIKey is CWSLFUASAGVZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-5-10-12(19)13(20)18-8-9(6-7-11(18)16-10)17-15(2,3)14(21)22-4/h6-8,17,19H,5H2,1-4H3.
What are the key properties of methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate has a molecular weight of 305.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 147304410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).