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

C14H21N3O3 — CID 59771034

IUPACmethyl 3-methyl-4-oxo-9-(propan-2-ylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1C)CCCC2NC(C)C
InChIInChI=1S/C14H21N3O3/c1-8(2)15-10-6-5-7-17-12(10)16-11(14(19)20-4)9(3)13(17)18/h8,10,15H,5-7H2,1-4H3
InChIKeyJHZQMVWCBDSJQU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.17
Rot. Bonds3

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

methyl 3-methyl-4-oxo-9-(propan-2-ylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 59771034) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 3-methyl-4-oxo-9-(propan-2-ylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-4-oxo-9-(propan-2-ylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID59771034
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 3-methyl-4-oxo-9-(propan-2-ylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1C)CCCC2NC(C)C
InChIInChI=1S/C14H21N3O3/c1-8(2)15-10-6-5-7-17-12(10)16-11(14(19)20-4)9(3)13(17)18/h8,10,15H,5-7H2,1-4H3
InChIKeyJHZQMVWCBDSJQU-UHFFFAOYSA-N
XLogP1.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-oxo-9-(propan-2-ylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 3-methyl-4-oxo-9-(propan-2-ylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (CID 59771034) is methyl 3-methyl-4-oxo-9-(propan-2-ylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-4-oxo-9-(propan-2-ylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 3-methyl-4-oxo-9-(propan-2-ylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2n(c(=O)c1C)CCCC2NC(C)C.
What is the InChIKey of methyl 3-methyl-4-oxo-9-(propan-2-ylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is JHZQMVWCBDSJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)15-10-6-5-7-17-12(10)16-11(14(19)20-4)9(3)13(17)18/h8,10,15H,5-7H2,1-4H3.
What are the key properties of methyl 3-methyl-4-oxo-9-(propan-2-ylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 3-methyl-4-oxo-9-(propan-2-ylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-oxo-9-(propan-2-ylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 59771034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).