6-(4-chloropyrazol-1-yl)-7H-purin-2-amine

C8H6ClN7 — CID 114786662

IUPAC6-(4-chloropyrazol-1-yl)-7H-purin-2-amine
SMILESNc1nc(-n2cc(Cl)cn2)c2[nH]cnc2n1
InChIInChI=1S/C8H6ClN7/c9-4-1-13-16(2-4)7-5-6(12-3-11-5)14-8(10)15-7/h1-3H,(H3,10,11,12,14,15)
InChIKeyMOCLSPKQMSEFCC-UHFFFAOYSA-N
MW235.64 g/mol
LogP0.77
Rot. Bonds1

About 6-(4-chloropyrazol-1-yl)-7H-purin-2-amine

6-(4-chloropyrazol-1-yl)-7H-purin-2-amine (PubChem CID 114786662) has the molecular formula C8H6ClN7 and a molecular weight of 235.64 g/mol. Its IUPAC name is 6-(4-chloropyrazol-1-yl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(4-chloropyrazol-1-yl)-7H-purin-2-amine
PubChem CID114786662
Molecular FormulaC8H6ClN7
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name6-(4-chloropyrazol-1-yl)-7H-purin-2-amine
SMILESNc1nc(-n2cc(Cl)cn2)c2[nH]cnc2n1
InChIInChI=1S/C8H6ClN7/c9-4-1-13-16(2-4)7-5-6(12-3-11-5)14-8(10)15-7/h1-3H,(H3,10,11,12,14,15)
InChIKeyMOCLSPKQMSEFCC-UHFFFAOYSA-N
XLogP0.77
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine
CID 114786663
6-(3-methylpyrazol-1-yl)-7H-purin-2-amine
CID 114786706
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
1-(2-amino-7H-purin-6-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509263
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
(2-amino-7H-purin-6-yl)methanol
CID 11593490
4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one
CID 168700963
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine
CID 114786682
6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine
CID 177211825

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloropyrazol-1-yl)-7H-purin-2-amine?
The IUPAC name of 6-(4-chloropyrazol-1-yl)-7H-purin-2-amine (CID 114786662) is 6-(4-chloropyrazol-1-yl)-7H-purin-2-amine.
What is the SMILES notation for 6-(4-chloropyrazol-1-yl)-7H-purin-2-amine?
The canonical SMILES for 6-(4-chloropyrazol-1-yl)-7H-purin-2-amine is Nc1nc(-n2cc(Cl)cn2)c2[nH]cnc2n1.
What is the InChIKey of 6-(4-chloropyrazol-1-yl)-7H-purin-2-amine?
The InChIKey is MOCLSPKQMSEFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN7/c9-4-1-13-16(2-4)7-5-6(12-3-11-5)14-8(10)15-7/h1-3H,(H3,10,11,12,14,15).
What are the key properties of 6-(4-chloropyrazol-1-yl)-7H-purin-2-amine?
6-(4-chloropyrazol-1-yl)-7H-purin-2-amine has a molecular weight of 235.64 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloropyrazol-1-yl)-7H-purin-2-amine is sourced from PubChem (CID 114786662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).