4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C5H4ClN5 — CID 11789625

IUPAC4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESNc1nc(Cl)c2cn[nH]c2n1
InChIInChI=1S/C5H4ClN5/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H3,7,8,9,10,11)
InChIKeyASKOHPBJRRSUSJ-UHFFFAOYSA-N
MW169.58 g/mol
LogP0.59
Rot. Bonds

About 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 11789625) has the molecular formula C5H4ClN5 and a molecular weight of 169.58 g/mol. Its IUPAC name is 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID11789625
Molecular FormulaC5H4ClN5
Molecular Weight169.58 g/mol
Exact Mass169.02
IUPAC Name4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESNc1nc(Cl)c2cn[nH]c2n1
InChIInChI=1S/C5H4ClN5/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H3,7,8,9,10,11)
InChIKeyASKOHPBJRRSUSJ-UHFFFAOYSA-N
XLogP0.59
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.58
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazolo[3,4-d]pyrimidin-4-amine
CID 75420
1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
N,N-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221159
n-Methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221158
4-Chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 221095
N-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221086
4-N,6-N-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223696
4-chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 219751
4-Hydrazinyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 219785
6-Chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 220780
N-ethyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 223708
6-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227469

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 11789625) is 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine is Nc1nc(Cl)c2cn[nH]c2n1.
What is the InChIKey of 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is ASKOHPBJRRSUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN5/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H3,7,8,9,10,11).
What are the key properties of 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 169.58 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 11789625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).