2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine

C17H13BrN6 — CID 164626528

IUPAC2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
SMILESBrc1cccc(Nc2nccc(Nc3ccc4cn[nH]c4c3)n2)c1
InChIInChI=1S/C17H13BrN6/c18-12-2-1-3-13(8-12)22-17-19-7-6-16(23-17)21-14-5-4-11-10-20-24-15(11)9-14/h1-10H,(H,20,24)(H2,19,21,22,23)
InChIKeyZOENWICNSXXIDZ-UHFFFAOYSA-N
MW381.24 g/mol
LogP4.60
Rot. Bonds4

About 2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine

2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine (PubChem CID 164626528) has the molecular formula C17H13BrN6 and a molecular weight of 381.24 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
PubChem CID164626528
Molecular FormulaC17H13BrN6
Molecular Weight381.24 g/mol
Exact Mass380.04
IUPAC Name2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
SMILESBrc1cccc(Nc2nccc(Nc3ccc4cn[nH]c4c3)n2)c1
InChIInChI=1S/C17H13BrN6/c18-12-2-1-3-13(8-12)22-17-19-7-6-16(23-17)21-14-5-4-11-10-20-24-15(11)9-14/h1-10H,(H,20,24)(H2,19,21,22,23)
InChIKeyZOENWICNSXXIDZ-UHFFFAOYSA-N
XLogP4.60
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine (CID 164626528) is 2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine is Brc1cccc(Nc2nccc(Nc3ccc4cn[nH]c4c3)n2)c1.
What is the InChIKey of 2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The InChIKey is ZOENWICNSXXIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN6/c18-12-2-1-3-13(8-12)22-17-19-7-6-16(23-17)21-14-5-4-11-10-20-24-15(11)9-14/h1-10H,(H,20,24)(H2,19,21,22,23).
What are the key properties of 2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine has a molecular weight of 381.24 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 164626528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).