6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine

C17H15N7 — CID 46215644

IUPAC6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1
InChIInChI=1S/C17H15N7/c18-16-12-7-6-10(8-14(12)23-24-16)13-9-15(22-17(19)21-13)20-11-4-2-1-3-5-11/h1-9H,(H3,18,23,24)(H3,19,20,21,22)
InChIKeyJIJYWPGTRDMEFZ-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.93
Rot. Bonds3

About 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine

6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 46215644) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine
PubChem CID46215644
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1
InChIInChI=1S/C17H15N7/c18-16-12-7-6-10(8-14(12)23-24-16)13-9-15(22-17(19)21-13)20-11-4-2-1-3-5-11/h1-9H,(H3,18,23,24)(H3,19,20,21,22)
InChIKeyJIJYWPGTRDMEFZ-UHFFFAOYSA-N
XLogP2.93
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine (CID 46215644) is 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine is Nc1nc(Nc2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1.
What is the InChIKey of 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is JIJYWPGTRDMEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c18-16-12-7-6-10(8-14(12)23-24-16)13-9-15(22-17(19)21-13)20-11-4-2-1-3-5-11/h1-9H,(H3,18,23,24)(H3,19,20,21,22).
What are the key properties of 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine?
6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 317.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 46215644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).