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

C20H24Cl2N6O — CID 10694163

IUPAC[(2R)-1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol
SMILESCC(C)n1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(N3CCC[C@@H]3CO)nc21
InChIInChI=1S/C20H24Cl2N6O/c1-12(2)28-11-24-17-18(23-9-13-5-6-15(21)16(22)8-13)25-20(26-19(17)28)27-7-3-4-14(27)10-29/h5-6,8,11-12,14,29H,3-4,7,9-10H2,1-2H3,(H,23,25,26)/t14-/m1/s1
InChIKeyIWTZDHWBKOLGBX-CQSZACIVSA-N
MW435.36 g/mol
LogP4.29
Rot. Bonds6

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

[(2R)-1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 10694163) has the molecular formula C20H24Cl2N6O and a molecular weight of 435.36 g/mol. Its IUPAC name is [(2R)-1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID10694163
Molecular FormulaC20H24Cl2N6O
Molecular Weight435.36 g/mol
Exact Mass434.14
IUPAC Name[(2R)-1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol
SMILESCC(C)n1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(N3CCC[C@@H]3CO)nc21
InChIInChI=1S/C20H24Cl2N6O/c1-12(2)28-11-24-17-18(23-9-13-5-6-15(21)16(22)8-13)25-20(26-19(17)28)27-7-3-4-14(27)10-29/h5-6,8,11-12,14,29H,3-4,7,9-10H2,1-2H3,(H,23,25,26)/t14-/m1/s1
InChIKeyIWTZDHWBKOLGBX-CQSZACIVSA-N
XLogP4.29
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol (CID 10694163) is [(2R)-1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol is CC(C)n1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(N3CCC[C@@H]3CO)nc21.
What is the InChIKey of [(2R)-1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is IWTZDHWBKOLGBX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24Cl2N6O/c1-12(2)28-11-24-17-18(23-9-13-5-6-15(21)16(22)8-13)25-20(26-19(17)28)27-7-3-4-14(27)10-29/h5-6,8,11-12,14,29H,3-4,7,9-10H2,1-2H3,(H,23,25,26)/t14-/m1/s1.
What are the key properties of [(2R)-1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 435.36 g/mol, XLogP of 4.29, 6 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-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 10694163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).