6-chloro-9-prop-2-ynylpurin-2-amine

C8H6ClN5 — CID 15473782

IUPAC6-chloro-9-prop-2-ynylpurin-2-amine
SMILESC#CCn1cnc2c(Cl)nc(N)nc21
InChIInChI=1S/C8H6ClN5/c1-2-3-14-4-11-5-6(9)12-8(10)13-7(5)14/h1,4H,3H2,(H2,10,12,13)
InChIKeyBIYFIQUJKQFEMK-UHFFFAOYSA-N
MW207.62 g/mol
LogP0.70
Rot. Bonds1

About 6-chloro-9-prop-2-ynylpurin-2-amine

6-chloro-9-prop-2-ynylpurin-2-amine (PubChem CID 15473782) has the molecular formula C8H6ClN5 and a molecular weight of 207.62 g/mol. Its IUPAC name is 6-chloro-9-prop-2-ynylpurin-2-amine.

Molecular Properties

Compound Name6-chloro-9-prop-2-ynylpurin-2-amine
PubChem CID15473782
Molecular FormulaC8H6ClN5
Molecular Weight207.62 g/mol
Exact Mass207.03
IUPAC Name6-chloro-9-prop-2-ynylpurin-2-amine
SMILESC#CCn1cnc2c(Cl)nc(N)nc21
InChIInChI=1S/C8H6ClN5/c1-2-3-14-4-11-5-6(9)12-8(10)13-7(5)14/h1,4H,3H2,(H2,10,12,13)
InChIKeyBIYFIQUJKQFEMK-UHFFFAOYSA-N
XLogP0.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-Chloropurine
CID 5359277
2-Amino-6-chloropurine
CID 5360349
7-Methyladenine
CID 71593
9-Methyladenine
CID 69689
9-Ethyladenine
CID 7
8-Bromo-9-ethyladenine
CID 5248753
9-Cyclopentyladenine
CID 12852
2,6-Dichloropurine
CID 5324412
9-cyclopropyl-9H-purin-6-amine
CID 414708
2,6-dichloro-7-methyl-7H-purine
CID 75281
6-chloro-9-methyl-9H-purine
CID 94844
8-Bromo-9-butyl-9H-purin-6-amine
CID 11608719

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-prop-2-ynylpurin-2-amine?
The IUPAC name of 6-chloro-9-prop-2-ynylpurin-2-amine (CID 15473782) is 6-chloro-9-prop-2-ynylpurin-2-amine.
What is the SMILES notation for 6-chloro-9-prop-2-ynylpurin-2-amine?
The canonical SMILES for 6-chloro-9-prop-2-ynylpurin-2-amine is C#CCn1cnc2c(Cl)nc(N)nc21.
What is the InChIKey of 6-chloro-9-prop-2-ynylpurin-2-amine?
The InChIKey is BIYFIQUJKQFEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN5/c1-2-3-14-4-11-5-6(9)12-8(10)13-7(5)14/h1,4H,3H2,(H2,10,12,13).
What are the key properties of 6-chloro-9-prop-2-ynylpurin-2-amine?
6-chloro-9-prop-2-ynylpurin-2-amine has a molecular weight of 207.62 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-prop-2-ynylpurin-2-amine is sourced from PubChem (CID 15473782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).