ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate

C14H17N3O4 — CID 121384978

IUPACethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(O)c(CN(C)C)ccn2c1=O
InChIInChI=1S/C14H17N3O4/c1-4-21-14(20)10-7-15-12-11(18)9(8-16(2)3)5-6-17(12)13(10)19/h5-7,18H,4,8H2,1-3H3
InChIKeyIZVVROHNNDAVRD-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.64
Rot. Bonds4

About ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate

ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate (PubChem CID 121384978) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
PubChem CID121384978
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Nameethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(O)c(CN(C)C)ccn2c1=O
InChIInChI=1S/C14H17N3O4/c1-4-21-14(20)10-7-15-12-11(18)9(8-16(2)3)5-6-17(12)13(10)19/h5-7,18H,4,8H2,1-3H3
InChIKeyIZVVROHNNDAVRD-UHFFFAOYSA-N
XLogP0.64
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate (CID 121384978) is ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnc2c(O)c(CN(C)C)ccn2c1=O.
What is the InChIKey of ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate?
The InChIKey is IZVVROHNNDAVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-4-21-14(20)10-7-15-12-11(18)9(8-16(2)3)5-6-17(12)13(10)19/h5-7,18H,4,8H2,1-3H3.
What are the key properties of ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate?
ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 121384978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).