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

C6H6ClN5 — CID 20785205

IUPAC4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1ncc2c(Cl)nc(N)nc21
InChIInChI=1S/C6H6ClN5/c1-12-5-3(2-9-12)4(7)10-6(8)11-5/h2H,1H3,(H2,8,10,11)
InChIKeyLSZNUJWHYLMPRG-UHFFFAOYSA-N
MW183.60 g/mol
LogP0.60
Rot. Bonds

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

4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 20785205) has the molecular formula C6H6ClN5 and a molecular weight of 183.60 g/mol. Its IUPAC name is 4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID20785205
Molecular FormulaC6H6ClN5
Molecular Weight183.60 g/mol
Exact Mass183.03
IUPAC Name4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1ncc2c(Cl)nc(N)nc21
InChIInChI=1S/C6H6ClN5/c1-12-5-3(2-9-12)4(7)10-6(8)11-5/h2H,1H3,(H2,8,10,11)
InChIKeyLSZNUJWHYLMPRG-UHFFFAOYSA-N
XLogP0.60
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine (CID 20785205) is 4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine is Cn1ncc2c(Cl)nc(N)nc21.
What is the InChIKey of 4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is LSZNUJWHYLMPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN5/c1-12-5-3(2-9-12)4(7)10-6(8)11-5/h2H,1H3,(H2,8,10,11).
What are the key properties of 4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 183.60 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 20785205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).