1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

C20H22ClN3O2 — CID 108774557

IUPAC1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(N2CCC3(CC2)CC(=O)c2ccc(C)c(C)c2O3)nc(Cl)n1
InChIInChI=1S/C20H22ClN3O2/c1-12-4-5-15-16(25)11-20(26-18(15)14(12)3)6-8-24(9-7-20)17-10-13(2)22-19(21)23-17/h4-5,10H,6-9,11H2,1-3H3
InChIKeyQVBJNCRNCIYHCP-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.06
Rot. Bonds1

About 1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108774557) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108774557
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(N2CCC3(CC2)CC(=O)c2ccc(C)c(C)c2O3)nc(Cl)n1
InChIInChI=1S/C20H22ClN3O2/c1-12-4-5-15-16(25)11-20(26-18(15)14(12)3)6-8-24(9-7-20)17-10-13(2)22-19(21)23-17/h4-5,10H,6-9,11H2,1-3H3
InChIKeyQVBJNCRNCIYHCP-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

Analyze 1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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Related Compounds

1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774874
1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734862
1'-(2-chloroacetyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734821
1'-[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734867
6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108771663
1'-(3-chloropropanoyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758148
1'-(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108809724
N-ethyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781837
6-chloro-7-methyl-1'-(6-methylpyridazin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774717
6-chloro-7-methyl-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774694
4-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-3-nitrobenzenesulfonamide
CID 108774544
6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774696

Frequently Asked Questions

What is the IUPAC name of 1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108774557) is 1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(N2CCC3(CC2)CC(=O)c2ccc(C)c(C)c2O3)nc(Cl)n1.
What is the InChIKey of 1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is QVBJNCRNCIYHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-12-4-5-15-16(25)11-20(26-18(15)14(12)3)6-8-24(9-7-20)17-10-13(2)22-19(21)23-17/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[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 1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108774557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).