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

C20H22ClN3O2 — CID 108774696

IUPAC6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C)nc(N2CCC3(CC2)CC(=O)c2cc(Cl)c(C)cc2O3)n1
InChIInChI=1S/C20H22ClN3O2/c1-12-8-18-15(10-16(12)21)17(25)11-20(26-18)4-6-24(7-5-20)19-22-13(2)9-14(3)23-19/h8-10H,4-7,11H2,1-3H3
InChIKeyPAVWMMHCDWYVNI-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.06
Rot. Bonds1

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

6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108774696) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108774696
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C)nc(N2CCC3(CC2)CC(=O)c2cc(Cl)c(C)cc2O3)n1
InChIInChI=1S/C20H22ClN3O2/c1-12-8-18-15(10-16(12)21)17(25)11-20(26-18)4-6-24(7-5-20)19-22-13(2)9-14(3)23-19/h8-10H,4-7,11H2,1-3H3
InChIKeyPAVWMMHCDWYVNI-UHFFFAOYSA-N
XLogP4.06
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-7-methyl-1'-(6-methylpyridazin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774717
6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108771663
6-chloro-7-methyl-1'-(3-pyrrolidin-1-ylquinoxalin-2-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774690
6-chloro-1'-(5-chloro-1,3-benzoxazol-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774702
6-chloro-7-methyl-1'-(pyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735231
ethyl 4-(6-chloro-7-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyrimidine-5-carboxylate
CID 108774713
6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735213
6-chloro-1'-[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735309
1'-[2-(4-bromophenyl)acetyl]-6-chloro-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735312
6-chloro-7-methyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735333
1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735844
6-chloro-1'-(3,4-dimethoxybenzoyl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758412

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108774696) is 6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(C)nc(N2CCC3(CC2)CC(=O)c2cc(Cl)c(C)cc2O3)n1.
What is the InChIKey of 6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is PAVWMMHCDWYVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-12-8-18-15(10-16(12)21)17(25)11-20(26-18)4-6-24(7-5-20)19-22-13(2)9-14(3)23-19/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 371.87 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108774696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).