2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine

C20H19BrN6 — CID 54673094

IUPAC2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCc1c2ccc(N(C)c3ccnc(Nc4cccc(Br)c4)n3)cc2nn1C
InChIInChI=1S/C20H19BrN6/c1-13-17-8-7-16(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-15-6-4-5-14(21)11-15/h4-12H,1-3H3,(H,22,23,24)
InChIKeyYKUAGRKABCIADY-UHFFFAOYSA-N
MW423.32 g/mol
LogP4.95
Rot. Bonds4

About 2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine

2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 54673094) has the molecular formula C20H19BrN6 and a molecular weight of 423.32 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID54673094
Molecular FormulaC20H19BrN6
Molecular Weight423.32 g/mol
Exact Mass422.09
IUPAC Name2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCc1c2ccc(N(C)c3ccnc(Nc4cccc(Br)c4)n3)cc2nn1C
InChIInChI=1S/C20H19BrN6/c1-13-17-8-7-16(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-15-6-4-5-14(21)11-15/h4-12H,1-3H3,(H,22,23,24)
InChIKeyYKUAGRKABCIADY-UHFFFAOYSA-N
XLogP4.95
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine (CID 54673094) is 2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine is Cc1c2ccc(N(C)c3ccnc(Nc4cccc(Br)c4)n3)cc2nn1C.
What is the InChIKey of 2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is YKUAGRKABCIADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN6/c1-13-17-8-7-16(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-15-6-4-5-14(21)11-15/h4-12H,1-3H3,(H,22,23,24).
What are the key properties of 2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine?
2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 423.32 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-4-N-(2,3-dimethylindazol-6-yl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 54673094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).