6-chloro-9-(1-phenylpropan-2-yl)purine

C14H13ClN4 — CID 21152107

IUPAC6-chloro-9-(1-phenylpropan-2-yl)purine
SMILESCC(Cc1ccccc1)n1cnc2c(Cl)ncnc21
InChIInChI=1S/C14H13ClN4/c1-10(7-11-5-3-2-4-6-11)19-9-18-12-13(15)16-8-17-14(12)19/h2-6,8-10H,7H2,1H3
InChIKeyAWGWIELXCODGMV-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.28
Rot. Bonds3

About 6-chloro-9-(1-phenylpropan-2-yl)purine

6-chloro-9-(1-phenylpropan-2-yl)purine (PubChem CID 21152107) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 6-chloro-9-(1-phenylpropan-2-yl)purine.

Molecular Properties

Compound Name6-chloro-9-(1-phenylpropan-2-yl)purine
PubChem CID21152107
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name6-chloro-9-(1-phenylpropan-2-yl)purine
SMILESCC(Cc1ccccc1)n1cnc2c(Cl)ncnc21
InChIInChI=1S/C14H13ClN4/c1-10(7-11-5-3-2-4-6-11)19-9-18-12-13(15)16-8-17-14(12)19/h2-6,8-10H,7H2,1H3
InChIKeyAWGWIELXCODGMV-UHFFFAOYSA-N
XLogP3.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(6-chloropurin-9-yl)butanoyl]benzamide
CID 135001309
tert-butyl-[(3R,4R)-4-(6-chloropurin-9-yl)-1-phenylpentan-3-yl]oxy-dimethylsilane
CID 88851376
6-chloro-9-[(1R)-1-phenylprop-2-enyl]purine
CID 101478561
2-[(6-chloropurin-9-yl)-phenylmethyl]prop-2-en-1-ol
CID 164617358
6-benzylsulfanyl-9-propan-2-ylpurine
CID 71424669
9-butan-2-yl-6-methylpurine
CID 166765034
(2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol
CID 89211723
9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine
CID 15693953
1-(9-benzylpurin-6-yl)-2-phenylethanol
CID 175378937
9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine
CID 56977472
2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 102969714
3-(6-aminopurin-9-yl)-4-(4-methylphenyl)butan-2-ol
CID 21460331

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-(1-phenylpropan-2-yl)purine?
The IUPAC name of 6-chloro-9-(1-phenylpropan-2-yl)purine (CID 21152107) is 6-chloro-9-(1-phenylpropan-2-yl)purine.
What is the SMILES notation for 6-chloro-9-(1-phenylpropan-2-yl)purine?
The canonical SMILES for 6-chloro-9-(1-phenylpropan-2-yl)purine is CC(Cc1ccccc1)n1cnc2c(Cl)ncnc21.
What is the InChIKey of 6-chloro-9-(1-phenylpropan-2-yl)purine?
The InChIKey is AWGWIELXCODGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-10(7-11-5-3-2-4-6-11)19-9-18-12-13(15)16-8-17-14(12)19/h2-6,8-10H,7H2,1H3.
What are the key properties of 6-chloro-9-(1-phenylpropan-2-yl)purine?
6-chloro-9-(1-phenylpropan-2-yl)purine has a molecular weight of 272.74 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-(1-phenylpropan-2-yl)purine is sourced from PubChem (CID 21152107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).