2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine

C6H7N5 — CID 82594672

IUPAC2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine
SMILESNCc1[nH]nc2cncnc12
InChIInChI=1S/C6H7N5/c7-1-4-6-5(11-10-4)2-8-3-9-6/h2-3H,1,7H2,(H,10,11)
InChIKeyWFAQLFWTCARWEE-UHFFFAOYSA-N
MW149.16 g/mol
LogP-0.19
Rot. Bonds1

About 2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine

2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine (PubChem CID 82594672) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine.

Molecular Properties

Compound Name2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine
PubChem CID82594672
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine
SMILESNCc1[nH]nc2cncnc12
InChIInChI=1S/C6H7N5/c7-1-4-6-5(11-10-4)2-8-3-9-6/h2-3H,1,7H2,(H,10,11)
InChIKeyWFAQLFWTCARWEE-UHFFFAOYSA-N
XLogP-0.19
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine?
The IUPAC name of 2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine (CID 82594672) is 2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine.
What is the SMILES notation for 2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine?
The canonical SMILES for 2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine is NCc1[nH]nc2cncnc12.
What is the InChIKey of 2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine?
The InChIKey is WFAQLFWTCARWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c7-1-4-6-5(11-10-4)2-8-3-9-6/h2-3H,1,7H2,(H,10,11).
What are the key properties of 2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine?
2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine has a molecular weight of 149.16 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrazolo[4,3-d]pyrimidin-3-ylmethanamine is sourced from PubChem (CID 82594672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).