2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide

C22H29N5O3 — CID 176506405

IUPAC2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)OCCc2cnc(N(C)C)nc23)c(C)c1
InChIInChI=1S/C22H29N5O3/c1-15-13-17(29-4)5-6-18(15)24-21(28)27-10-8-22(9-11-27)19-16(7-12-30-22)14-23-20(25-19)26(2)3/h5-6,13-14H,7-12H2,1-4H3,(H,24,28)
InChIKeyAUBUNHYTVHGTLZ-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.96
Rot. Bonds3

About 2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide

2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide (PubChem CID 176506405) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide
PubChem CID176506405
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)OCCc2cnc(N(C)C)nc23)c(C)c1
InChIInChI=1S/C22H29N5O3/c1-15-13-17(29-4)5-6-18(15)24-21(28)27-10-8-22(9-11-27)19-16(7-12-30-22)14-23-20(25-19)26(2)3/h5-6,13-14H,7-12H2,1-4H3,(H,24,28)
InChIKeyAUBUNHYTVHGTLZ-UHFFFAOYSA-N
XLogP2.96
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone
CID 176502683
2-amino-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
CID 163307620
1-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-(2H-indazol-3-yl)ethanone
CID 176506350
3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 176502050
[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 176501264
N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 71807558
1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-2-(3-methoxyphenyl)sulfanylethanone
CID 176505685
N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 176502875
[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone
CID 97415558
N-[4-(dimethylamino)-2-methylphenyl]-4-(3-methoxybenzoyl)piperazine-1-carboxamide
CID 55702168
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxy-2-methylphenyl)-1,4-diazepane-1-carboxamide
CID 3341231
1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine
CID 176503652

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide (CID 176506405) is 2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide is COc1ccc(NC(=O)N2CCC3(CC2)OCCc2cnc(N(C)C)nc23)c(C)c1.
What is the InChIKey of 2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide?
The InChIKey is AUBUNHYTVHGTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-15-13-17(29-4)5-6-18(15)24-21(28)27-10-8-22(9-11-27)19-16(7-12-30-22)14-23-20(25-19)26(2)3/h5-6,13-14H,7-12H2,1-4H3,(H,24,28).
What are the key properties of 2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide?
2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 176506405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).