5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide

C20H22Cl2N4O2 — CID 155690377

IUPAC5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
SMILESCc1nc(N2CCC3(CCOC3)CC2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C20H22Cl2N4O2/c1-12-15(13-3-2-4-14(21)16(13)22)17(18(23)27)25-19(24-12)26-8-5-20(6-9-26)7-10-28-11-20/h2-4H,5-11H2,1H3,(H2,23,27)
InChIKeyFIFPHWOCSQEIGQ-UHFFFAOYSA-N
MW421.33 g/mol
LogP3.86
Rot. Bonds3

About 5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide

5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide (PubChem CID 155690377) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
PubChem CID155690377
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC Name5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
SMILESCc1nc(N2CCC3(CCOC3)CC2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C20H22Cl2N4O2/c1-12-15(13-3-2-4-14(21)16(13)22)17(18(23)27)25-19(24-12)26-8-5-20(6-9-26)7-10-28-11-20/h2-4H,5-11H2,1H3,(H2,23,27)
InChIKeyFIFPHWOCSQEIGQ-UHFFFAOYSA-N
XLogP3.86
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 155690425
2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155095691
2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155089597
5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide
CID 155089518
2-[(3R,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155089393
3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide
CID 166933352
6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 155095692
6-amino-2-[(3S)-3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 155095685
6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide
CID 155401025
tert-butyl N-[1-[5-(2,3-dichlorophenyl)-4-methoxy-6-methylpyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamate
CID 156805966
8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane
CID 138553209
tert-butyl N-[1-[4-cyano-5-(2,3-dichlorophenyl)-6-methylpyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamate
CID 155089509

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide (CID 155690377) is 5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide is Cc1nc(N2CCC3(CCOC3)CC2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
The InChIKey is FIFPHWOCSQEIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O2/c1-12-15(13-3-2-4-14(21)16(13)22)17(18(23)27)25-19(24-12)26-8-5-20(6-9-26)7-10-28-11-20/h2-4H,5-11H2,1H3,(H2,23,27).
What are the key properties of 5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide?
5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide has a molecular weight of 421.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 155690377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).