1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

C19H20ClN3O3 — CID 108774874

IUPAC1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(c3cc(C)nc(Cl)n3)CC1)CC2=O
InChIInChI=1S/C19H20ClN3O3/c1-12-9-17(22-18(20)21-12)23-7-5-19(6-8-23)11-15(24)14-4-3-13(25-2)10-16(14)26-19/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyZLHRUZQLKFNGRZ-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.45
Rot. Bonds2

About 1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108774874) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108774874
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(c3cc(C)nc(Cl)n3)CC1)CC2=O
InChIInChI=1S/C19H20ClN3O3/c1-12-9-17(22-18(20)21-12)23-7-5-19(6-8-23)11-15(24)14-4-3-13(25-2)10-16(14)26-19/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyZLHRUZQLKFNGRZ-UHFFFAOYSA-N
XLogP3.45
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108774874) is 1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc2c(c1)OC1(CCN(c3cc(C)nc(Cl)n3)CC1)CC2=O.
What is the InChIKey of 1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is ZLHRUZQLKFNGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-12-9-17(22-18(20)21-12)23-7-5-19(6-8-23)11-15(24)14-4-3-13(25-2)10-16(14)26-19/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of 1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 373.84 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108774874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).