ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate

C17H23N3O3 — CID 137278660

IUPACethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)C1=C(CC[C@@H](C)C1)C(C)(C)N2
InChIInChI=1S/C17H23N3O3/c1-5-23-15(22)11-9-18-16-19-17(3,4)12-7-6-10(2)8-13(12)20(16)14(11)21/h9-10H,5-8H2,1-4H3,(H,18,19)/t10-/m1/s1
InChIKeyQGIGMSUTTGKKTG-SNVBAGLBSA-N
MW317.39 g/mol
LogP2.66
Rot. Bonds2

About ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate

ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate (PubChem CID 137278660) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate
PubChem CID137278660
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nameethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)C1=C(CC[C@@H](C)C1)C(C)(C)N2
InChIInChI=1S/C17H23N3O3/c1-5-23-15(22)11-9-18-16-19-17(3,4)12-7-6-10(2)8-13(12)20(16)14(11)21/h9-10H,5-8H2,1-4H3,(H,18,19)/t10-/m1/s1
InChIKeyQGIGMSUTTGKKTG-SNVBAGLBSA-N
XLogP2.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate with MolForge

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Related Compounds

2-(3-ethoxycarbonyl-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)acetic acid
CID 85441304
ethyl (9Z)-9-hydroxyimino-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
CID 136813205
ethyl 6-methyl-4-oxo-9-(1-sulfanylethylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
CID 154247854
ethyl 1-(4-fluorophenyl)-2-methoxy-6-oxopyrimidine-5-carboxylate
CID 141474030
ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
ethyl 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate
CID 12778914
ethyl 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
CID 591709
ethyl 6-methyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 164749425
ethyl 5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate
CID 7454231
ethyl (9Z)-9-(2-ethoxy-1-hydroxy-2-oxoethylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
CID 177476049
ethyl 2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4737233
ethyl 1-(2-amino-2-oxoethyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
CID 7748533

Frequently Asked Questions

What is the IUPAC name of ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate?
The IUPAC name of ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate (CID 137278660) is ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate.
What is the SMILES notation for ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate?
The canonical SMILES for ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate is CCOC(=O)c1cnc2n(c1=O)C1=C(CC[C@@H](C)C1)C(C)(C)N2.
What is the InChIKey of ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate?
The InChIKey is QGIGMSUTTGKKTG-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-5-23-15(22)11-9-18-16-19-17(3,4)12-7-6-10(2)8-13(12)20(16)14(11)21/h9-10H,5-8H2,1-4H3,(H,18,19)/t10-/m1/s1.
What are the key properties of ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate?
ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (9R)-6,6,9-trimethyl-1-oxo-7,8,9,10-tetrahydro-5H-pyrimido[1,2-a]quinazoline-2-carboxylate is sourced from PubChem (CID 137278660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).