(9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one

C13H14ClN3O — CID 163638172

IUPAC(9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one
SMILESCC(C)[C@H]1CCC(=O)c2cc3cnc(Cl)nc3n21
InChIInChI=1S/C13H14ClN3O/c1-7(2)9-3-4-11(18)10-5-8-6-15-13(14)16-12(8)17(9)10/h5-7,9H,3-4H2,1-2H3/t9-/m1/s1
InChIKeyRJDVXPUBZAQEJW-SECBINFHSA-N
MW263.73 g/mol
LogP3.26
Rot. Bonds1

About (9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one

(9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one (PubChem CID 163638172) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is (9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one.

Molecular Properties

Compound Name(9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one
PubChem CID163638172
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name(9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one
SMILESCC(C)[C@H]1CCC(=O)c2cc3cnc(Cl)nc3n21
InChIInChI=1S/C13H14ClN3O/c1-7(2)9-3-4-11(18)10-5-8-6-15-13(14)16-12(8)17(9)10/h5-7,9H,3-4H2,1-2H3/t9-/m1/s1
InChIKeyRJDVXPUBZAQEJW-SECBINFHSA-N
XLogP3.26
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one with MolForge

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Related Compounds

4-chloro-11-methyl-13-propan-2-yl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 123320954
tert-butyl N-[2-[[6-[(6-oxo-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-2-yl)amino]-3-pyridinyl]amino]ethyl]-N-propylcarbamate
CID 163641617
(12S,13S)-4-chloro-13-methyl-12-propyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 155088176
2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine
CID 84819779
2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine
CID 122372650
2-chloro-7-cyclopentyl-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidine
CID 122372645
4-chloro-13-phenyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 123527555
2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 58315427
2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine
CID 177186493
cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 170994601
(4S)-3-(2-chloro-5-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489843
7-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-chloropyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 123509345

Frequently Asked Questions

What is the IUPAC name of (9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one?
The IUPAC name of (9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one (CID 163638172) is (9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one.
What is the SMILES notation for (9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one?
The canonical SMILES for (9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one is CC(C)[C@H]1CCC(=O)c2cc3cnc(Cl)nc3n21.
What is the InChIKey of (9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one?
The InChIKey is RJDVXPUBZAQEJW-SECBINFHSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-7(2)9-3-4-11(18)10-5-8-6-15-13(14)16-12(8)17(9)10/h5-7,9H,3-4H2,1-2H3/t9-/m1/s1.
What are the key properties of (9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one?
(9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one has a molecular weight of 263.73 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-2-chloro-9-propan-2-yl-8,9-dihydro-7H-pyrimido[5,4-b]indolizin-6-one is sourced from PubChem (CID 163638172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).