2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine

C23H22N10 — CID 168994712

IUPAC2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine
SMILESCC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3cnc(N)nc3)nc21
InChIInChI=1S/C23H22N10/c1-14(2)33-13-30-19-21(31-20(32-22(19)33)17-11-28-23(24)29-12-17)27-9-15-5-6-18(26-8-15)16-4-3-7-25-10-16/h3-8,10-14H,9H2,1-2H3,(H2,24,28,29)(H,27,31,32)
InChIKeyBQMZKFZFZVNBDA-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.52
Rot. Bonds6

About 2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine

2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine (PubChem CID 168994712) has the molecular formula C23H22N10 and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine.

Molecular Properties

Compound Name2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine
PubChem CID168994712
Molecular FormulaC23H22N10
Molecular Weight438.50 g/mol
Exact Mass438.20
IUPAC Name2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine
SMILESCC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3cnc(N)nc3)nc21
InChIInChI=1S/C23H22N10/c1-14(2)33-13-30-19-21(31-20(32-22(19)33)17-11-28-23(24)29-12-17)27-9-15-5-6-18(26-8-15)16-4-3-7-25-10-16/h3-8,10-14H,9H2,1-2H3,(H2,24,28,29)(H,27,31,32)
InChIKeyBQMZKFZFZVNBDA-UHFFFAOYSA-N
XLogP3.52
TPSA133.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine
CID 168994760
1-[3-[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]phenyl]ethanone
CID 117084022
9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine
CID 168994694
4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]benzenesulfonamide
CID 67359486
N-[4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenyl]methanesulfonamide
CID 59408944
2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol
CID 59408945
9-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]-2-pyridin-3-ylpurin-6-amine
CID 59408930
1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one
CID 59408939
9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117088690
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine
CID 59279636
(2S)-3-[[9-propan-2-yl-6-[(4-pyridin-3-ylphenyl)methylamino]purin-2-yl]amino]propane-1,2-diol
CID 46912867
2-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-9-propan-2-ylpurin-6-amine
CID 58803013

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine?
The IUPAC name of 2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine (CID 168994712) is 2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine.
What is the SMILES notation for 2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine?
The canonical SMILES for 2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine is CC(C)n1cnc2c(NCc3ccc(-c4cccnc4)nc3)nc(-c3cnc(N)nc3)nc21.
What is the InChIKey of 2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine?
The InChIKey is BQMZKFZFZVNBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N10/c1-14(2)33-13-30-19-21(31-20(32-22(19)33)17-11-28-23(24)29-12-17)27-9-15-5-6-18(26-8-15)16-4-3-7-25-10-16/h3-8,10-14H,9H2,1-2H3,(H2,24,28,29)(H,27,31,32).
What are the key properties of 2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine?
2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine has a molecular weight of 438.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine is sourced from PubChem (CID 168994712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).