4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine

C17H15N7 — CID 59024291

IUPAC4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
SMILESNc1ccc(-c2n[nH]c3ccc(Nc4ccnc(N)n4)cc23)cc1
InChIInChI=1S/C17H15N7/c18-11-3-1-10(2-4-11)16-13-9-12(5-6-14(13)23-24-16)21-15-7-8-20-17(19)22-15/h1-9H,18H2,(H,23,24)(H3,19,20,21,22)
InChIKeyVHCRMPGPOQCQFA-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.93
Rot. Bonds3

About 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine

4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine (PubChem CID 59024291) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
PubChem CID59024291
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
SMILESNc1ccc(-c2n[nH]c3ccc(Nc4ccnc(N)n4)cc23)cc1
InChIInChI=1S/C17H15N7/c18-11-3-1-10(2-4-11)16-13-9-12(5-6-14(13)23-24-16)21-15-7-8-20-17(19)22-15/h1-9H,18H2,(H,23,24)(H3,19,20,21,22)
InChIKeyVHCRMPGPOQCQFA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine (CID 59024291) is 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine is Nc1ccc(-c2n[nH]c3ccc(Nc4ccnc(N)n4)cc23)cc1.
What is the InChIKey of 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The InChIKey is VHCRMPGPOQCQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c18-11-3-1-10(2-4-11)16-13-9-12(5-6-14(13)23-24-16)21-15-7-8-20-17(19)22-15/h1-9H,18H2,(H,23,24)(H3,19,20,21,22).
What are the key properties of 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-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 4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59024291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).