5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

C7H8ClN5 — CID 169449342

IUPAC5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCNc1nc(Cl)nc2c(C)[nH]nc12
InChIInChI=1S/C7H8ClN5/c1-3-4-5(13-12-3)6(9-2)11-7(8)10-4/h1-2H3,(H,12,13)(H,9,10,11)
InChIKeyVTSIEWHGNUJVTJ-UHFFFAOYSA-N
MW197.63 g/mol
LogP1.36
Rot. Bonds1

About 5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 169449342) has the molecular formula C7H8ClN5 and a molecular weight of 197.63 g/mol. Its IUPAC name is 5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID169449342
Molecular FormulaC7H8ClN5
Molecular Weight197.63 g/mol
Exact Mass197.05
IUPAC Name5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCNc1nc(Cl)nc2c(C)[nH]nc12
InChIInChI=1S/C7H8ClN5/c1-3-4-5(13-12-3)6(9-2)11-7(8)10-4/h1-2H3,(H,12,13)(H,9,10,11)
InChIKeyVTSIEWHGNUJVTJ-UHFFFAOYSA-N
XLogP1.36
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.63
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (CID 169449342) is 5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is CNc1nc(Cl)nc2c(C)[nH]nc12.
What is the InChIKey of 5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is VTSIEWHGNUJVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5/c1-3-4-5(13-12-3)6(9-2)11-7(8)10-4/h1-2H3,(H,12,13)(H,9,10,11).
What are the key properties of 5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 197.63 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,3-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 169449342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).