6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide

C24H24Cl2N6O — CID 155095692

IUPAC6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc(N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C24H24Cl2N6O/c25-16-7-3-6-15(18(16)26)17-19(22(29)33)30-23(31-21(17)28)32-10-8-24(9-11-32)12-13-4-1-2-5-14(13)20(24)27/h1-7,20H,8-12,27H2,(H2,29,33)(H2,28,30,31)/t20-/m1/s1
InChIKeyJNDIEKBZALTVOD-HXUWFJFHSA-N
MW483.40 g/mol
LogP3.97
Rot. Bonds3

About 6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide

6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide (PubChem CID 155095692) has the molecular formula C24H24Cl2N6O and a molecular weight of 483.40 g/mol. Its IUPAC name is 6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
PubChem CID155095692
Molecular FormulaC24H24Cl2N6O
Molecular Weight483.40 g/mol
Exact Mass482.14
IUPAC Name6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc(N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C24H24Cl2N6O/c25-16-7-3-6-15(18(16)26)17-19(22(29)33)30-23(31-21(17)28)32-10-8-24(9-11-32)12-13-4-1-2-5-14(13)20(24)27/h1-7,20H,8-12,27H2,(H2,29,33)(H2,28,30,31)/t20-/m1/s1
InChIKeyJNDIEKBZALTVOD-HXUWFJFHSA-N
XLogP3.97
TPSA124.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 155690425
2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155089597
2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155095691
3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide
CID 154662934
(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 164743655
(1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155164169
1-[5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]ethanone
CID 166885448
(1S)-1'-[6-(2,3-dichlorophenyl)-5-fluoroimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100628
(1S)-1'-[8-(2,3-dichlorophenyl)-7-ethylpurin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100683
5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 155690377
(1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100536

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide (CID 155095692) is 6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide is NC(=O)c1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc(N)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is JNDIEKBZALTVOD-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24Cl2N6O/c25-16-7-3-6-15(18(16)26)17-19(22(29)33)30-23(31-21(17)28)32-10-8-24(9-11-32)12-13-4-1-2-5-14(13)20(24)27/h1-7,20H,8-12,27H2,(H2,29,33)(H2,28,30,31)/t20-/m1/s1.
What are the key properties of 6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide has a molecular weight of 483.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 155095692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).