[(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol

C19H22Cl2N6O — CID 10645840

IUPAC[(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol
SMILESCC(C)n1cnc2c(Nc3ccc(Cl)c(Cl)c3)nc(N3CCC[C@@H]3CO)nc21
InChIInChI=1S/C19H22Cl2N6O/c1-11(2)27-10-22-16-17(23-12-5-6-14(20)15(21)8-12)24-19(25-18(16)27)26-7-3-4-13(26)9-28/h5-6,8,10-11,13,28H,3-4,7,9H2,1-2H3,(H,23,24,25)/t13-/m1/s1
InChIKeyZPTAVVHUPQTZNT-CYBMUJFWSA-N
MW421.33 g/mol
LogP4.42
Rot. Bonds5

About [(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 10645840) has the molecular formula C19H22Cl2N6O and a molecular weight of 421.33 g/mol. Its IUPAC name is [(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID10645840
Molecular FormulaC19H22Cl2N6O
Molecular Weight421.33 g/mol
Exact Mass420.12
IUPAC Name[(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol
SMILESCC(C)n1cnc2c(Nc3ccc(Cl)c(Cl)c3)nc(N3CCC[C@@H]3CO)nc21
InChIInChI=1S/C19H22Cl2N6O/c1-11(2)27-10-22-16-17(23-12-5-6-14(20)15(21)8-12)24-19(25-18(16)27)26-7-3-4-13(26)9-28/h5-6,8,10-11,13,28H,3-4,7,9H2,1-2H3,(H,23,24,25)/t13-/m1/s1
InChIKeyZPTAVVHUPQTZNT-CYBMUJFWSA-N
XLogP4.42
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

Purvalanol A
CID 456214
2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol
CID 2856
(2S)-2-({6-[(3-Amino-5-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol
CID 6914609
1-{6-[(3,4-dichlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538968
1-{6-[(3-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538969
aminopurvalanol A
CID 6604931
CID 9549304
CID 9549304
2-[6-(3-Chloro-4-fluoro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-ethanol
CID 9885440
(R){1-[6-(4-Chloro-benzylamino)-9-isopropyl-9H-purin-2-yl]-pyrrolidin-2-yl}-methanol
CID 10431144
(R){1-[6-(3,4-Dichloro-benzylamino)-9-isopropyl-9H-purin-2-yl]-pyrrolidin-2-yl}-methanol
CID 10694163
{1-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-pyrrolidin-2-yl}-methanol
CID 10738939
(R)[1-(9-Isopropyl-6-phenylamino-9H-purin-2-yl)-pyrrolidin-2-yl]-methanol
CID 11792319

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol (CID 10645840) is [(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol is CC(C)n1cnc2c(Nc3ccc(Cl)c(Cl)c3)nc(N3CCC[C@@H]3CO)nc21.
What is the InChIKey of [(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is ZPTAVVHUPQTZNT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22Cl2N6O/c1-11(2)27-10-22-16-17(23-12-5-6-14(20)15(21)8-12)24-19(25-18(16)27)26-7-3-4-13(26)9-28/h5-6,8,10-11,13,28H,3-4,7,9H2,1-2H3,(H,23,24,25)/t13-/m1/s1.
What are the key properties of [(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 421.33 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-(3,4-dichloroanilino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 10645840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).