methyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate

C15H23N3O3 — CID 59771055

IUPACmethyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1C)CCCC2N(C)C(C)C
InChIInChI=1S/C15H23N3O3/c1-9(2)17(4)11-7-6-8-18-13(11)16-12(15(20)21-5)10(3)14(18)19/h9,11H,6-8H2,1-5H3
InChIKeySHRSEZWDYDIJKV-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.51
Rot. Bonds3

About methyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate

methyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 59771055) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID59771055
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1C)CCCC2N(C)C(C)C
InChIInChI=1S/C15H23N3O3/c1-9(2)17(4)11-7-6-8-18-13(11)16-12(15(20)21-5)10(3)14(18)19/h9,11H,6-8H2,1-5H3
InChIKeySHRSEZWDYDIJKV-UHFFFAOYSA-N
XLogP1.51
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (CID 59771055) is methyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2n(c(=O)c1C)CCCC2N(C)C(C)C.
What is the InChIKey of methyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is SHRSEZWDYDIJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(2)17(4)11-7-6-8-18-13(11)16-12(15(20)21-5)10(3)14(18)19/h9,11H,6-8H2,1-5H3.
What are the key properties of methyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-9-[methyl(propan-2-yl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 59771055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).