(3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one

C19H18ClN3O — CID 59262559

IUPAC(3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one
SMILESCN1C(=O)C[C@]2(CCc3ccc(-c4cccc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C19H18ClN3O/c1-23-17(24)11-19(22-18(23)21)8-7-12-5-6-14(10-16(12)19)13-3-2-4-15(20)9-13/h2-6,9-10H,7-8,11H2,1H3,(H2,21,22)/t19-/m0/s1
InChIKeyQKKKPHQCTXIVBS-IBGZPJMESA-N
MW339.83 g/mol
LogP3.33
Rot. Bonds1

About (3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one

(3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one (PubChem CID 59262559) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is (3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one.

Molecular Properties

Compound Name(3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one
PubChem CID59262559
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name(3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one
SMILESCN1C(=O)C[C@]2(CCc3ccc(-c4cccc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C19H18ClN3O/c1-23-17(24)11-19(22-18(23)21)8-7-12-5-6-14(10-16(12)19)13-3-2-4-15(20)9-13/h2-6,9-10H,7-8,11H2,1H3,(H2,21,22)/t19-/m0/s1
InChIKeyQKKKPHQCTXIVBS-IBGZPJMESA-N
XLogP3.33
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one
CID 66683613
5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 144586629
CID 58197025
CID 58197025
5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;(4S)-2'-amino-6-(3-methoxyphenyl)-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one
CID 158830010
N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide
CID 75288111
2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 53491838
2'-amino-10-(3-chlorophenyl)-3'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-imidazole]-4'-one
CID 91141040
(6S)-2-amino-6-[3-(2-chloro-4-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388821
(6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 67966792
(6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 89248111
CID 58197581
CID 58197581
(3R)-2'-amino-6-(3-chlorophenyl)-3-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one
CID 53493764

Frequently Asked Questions

What is the IUPAC name of (3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one?
The IUPAC name of (3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one (CID 59262559) is (3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one.
What is the SMILES notation for (3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one?
The canonical SMILES for (3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one is CN1C(=O)C[C@]2(CCc3ccc(-c4cccc(Cl)c4)cc32)N=C1N.
What is the InChIKey of (3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one?
The InChIKey is QKKKPHQCTXIVBS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-23-17(24)11-19(22-18(23)21)8-7-12-5-6-14(10-16(12)19)13-3-2-4-15(20)9-13/h2-6,9-10H,7-8,11H2,1H3,(H2,21,22)/t19-/m0/s1.
What are the key properties of (3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one?
(3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one has a molecular weight of 339.83 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one is sourced from PubChem (CID 59262559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).