3-(6-anilinopurin-9-yl)propan-1-ol

C14H15N5O — CID 165357858

IUPAC3-(6-anilinopurin-9-yl)propan-1-ol
SMILESOCCCn1cnc2c(Nc3ccccc3)ncnc21
InChIInChI=1S/C14H15N5O/c20-8-4-7-19-10-17-12-13(15-9-16-14(12)19)18-11-5-2-1-3-6-11/h1-3,5-6,9-10,20H,4,7-8H2,(H,15,16,18)
InChIKeyKBCIWVMZLOZOOW-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.95
Rot. Bonds5

About 3-(6-anilinopurin-9-yl)propan-1-ol

3-(6-anilinopurin-9-yl)propan-1-ol (PubChem CID 165357858) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-(6-anilinopurin-9-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-anilinopurin-9-yl)propan-1-ol
PubChem CID165357858
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-(6-anilinopurin-9-yl)propan-1-ol
SMILESOCCCn1cnc2c(Nc3ccccc3)ncnc21
InChIInChI=1S/C14H15N5O/c20-8-4-7-19-10-17-12-13(15-9-16-14(12)19)18-11-5-2-1-3-6-11/h1-3,5-6,9-10,20H,4,7-8H2,(H,15,16,18)
InChIKeyKBCIWVMZLOZOOW-UHFFFAOYSA-N
XLogP1.95
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-anilinopurin-9-yl)methoxy]ethyl acetate
CID 102255903
N-[9-[3-[bis(hydroxymethyl)-methylsilyl]propyl]purin-6-yl]benzamide
CID 10524145
N-benzyl-9-heptylpurin-6-amine
CID 71371736
N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide
CID 155799343
9-(6-anilinohexyl)purin-6-amine
CID 67346454
(2R,4R,5R)-2-(6-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11957679
3-N-chloro-1-N-[9-[2-[4-(chloroamino)phenyl]ethyl]purin-6-yl]benzene-1,3-diamine
CID 143372747
N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 57203375
9-(4-fluorophenyl)-N-phenylpurin-6-amine
CID 102501130
4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid
CID 53237483
9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
CID 127258073
(1R,2S)-1-[(9-butylpurin-6-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 102438627

Frequently Asked Questions

What is the IUPAC name of 3-(6-anilinopurin-9-yl)propan-1-ol?
The IUPAC name of 3-(6-anilinopurin-9-yl)propan-1-ol (CID 165357858) is 3-(6-anilinopurin-9-yl)propan-1-ol.
What is the SMILES notation for 3-(6-anilinopurin-9-yl)propan-1-ol?
The canonical SMILES for 3-(6-anilinopurin-9-yl)propan-1-ol is OCCCn1cnc2c(Nc3ccccc3)ncnc21.
What is the InChIKey of 3-(6-anilinopurin-9-yl)propan-1-ol?
The InChIKey is KBCIWVMZLOZOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-8-4-7-19-10-17-12-13(15-9-16-14(12)19)18-11-5-2-1-3-6-11/h1-3,5-6,9-10,20H,4,7-8H2,(H,15,16,18).
What are the key properties of 3-(6-anilinopurin-9-yl)propan-1-ol?
3-(6-anilinopurin-9-yl)propan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-anilinopurin-9-yl)propan-1-ol is sourced from PubChem (CID 165357858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).