6-(1H-indazol-6-yl)pyrimidine-2,4-diamine

C11H10N6 — CID 127263725

IUPAC6-(1H-indazol-6-yl)pyrimidine-2,4-diamine
SMILESNc1cc(-c2ccc3cn[nH]c3c2)nc(N)n1
InChIInChI=1S/C11H10N6/c12-10-4-8(15-11(13)16-10)6-1-2-7-5-14-17-9(7)3-6/h1-5H,(H,14,17)(H4,12,13,15,16)
InChIKeyWXTDEEKGSGTQOJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.18
Rot. Bonds1

About 6-(1H-indazol-6-yl)pyrimidine-2,4-diamine

6-(1H-indazol-6-yl)pyrimidine-2,4-diamine (PubChem CID 127263725) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1H-indazol-6-yl)pyrimidine-2,4-diamine
PubChem CID127263725
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name6-(1H-indazol-6-yl)pyrimidine-2,4-diamine
SMILESNc1cc(-c2ccc3cn[nH]c3c2)nc(N)n1
InChIInChI=1S/C11H10N6/c12-10-4-8(15-11(13)16-10)6-1-2-7-5-14-17-9(7)3-6/h1-5H,(H,14,17)(H4,12,13,15,16)
InChIKeyWXTDEEKGSGTQOJ-UHFFFAOYSA-N
XLogP1.18
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(1H-indazol-6-yl)pyrimidine-2,4-diamine (CID 127263725) is 6-(1H-indazol-6-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(1H-indazol-6-yl)pyrimidine-2,4-diamine is Nc1cc(-c2ccc3cn[nH]c3c2)nc(N)n1.
What is the InChIKey of 6-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The InChIKey is WXTDEEKGSGTQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-10-4-8(15-11(13)16-10)6-1-2-7-5-14-17-9(7)3-6/h1-5H,(H,14,17)(H4,12,13,15,16).
What are the key properties of 6-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
6-(1H-indazol-6-yl)pyrimidine-2,4-diamine has a molecular weight of 226.24 g/mol, XLogP of 1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-6-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 127263725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).