5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C89H77Br4N33 — CID 173204712

IUPAC5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESBrc1cnc(Nc2ccc3[nH]ncc3c2)nc1NCCc1ccccn1.Brc1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1.Brc1cnc(Nc2ccc3cn[nH]c3c2)nc1NCCc1ccccn1.Brc1cnc(Nc2cccc3[nH]ccc23)nc1NCc1ccccn1.c1ccc(CNc2ccnc(Nc3ccc4[nH]ccc4c3)n2)nc1
InChIInChI=1S/2C18H16BrN7.C18H15BrN6.C18H16N6.C17H14BrN7/c19-15-11-22-18(24-14-4-5-16-12(9-14)10-23-26-16)25-17(15)21-8-6-13-3-1-2-7-20-13;19-15-11-22-18(24-14-5-4-12-10-23-26-16(12)9-14)25-17(15)21-8-6-13-3-1-2-7-20-13;19-14-11-23-18(24-16-6-3-5-15-13(16)7-9-21-15)25-17(14)22-10-12-4-1-2-8-20-12;1-2-8-19-15(3-1)12-22-17-7-10-21-18(24-17)23-14-4-5-16-13(11-14)6-9-20-16;18-14-10-21-17(23-12-4-5-15-11(7-12)8-22-25-15)24-16(14)20-9-13-3-1-2-6-19-13/h2*1-5,7,9-11H,6,8H2,(H,23,26)(H2,21,22,24,25);1-9,11,21H,10H2,(H2,22,23,24,25);1-11,20H,12H2,(H2,21,22,23,24);1-8,10H,9H2,(H,22,25)(H2,20,21,23,24)
InChIKeyDPCKDVZZZMPFJA-UHFFFAOYSA-N
MW1928.44 g/mol
LogP19.86
Rot. Bonds27

About 5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 173204712) has the molecular formula C89H77Br4N33 and a molecular weight of 1928.44 g/mol. Its IUPAC name is 5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID173204712
Molecular FormulaC89H77Br4N33
Molecular Weight1928.44 g/mol
Exact Mass1923.38
IUPAC Name5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESBrc1cnc(Nc2ccc3[nH]ncc3c2)nc1NCCc1ccccn1.Brc1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1.Brc1cnc(Nc2ccc3cn[nH]c3c2)nc1NCCc1ccccn1.Brc1cnc(Nc2cccc3[nH]ccc23)nc1NCc1ccccn1.c1ccc(CNc2ccnc(Nc3ccc4[nH]ccc4c3)n2)nc1
InChIInChI=1S/2C18H16BrN7.C18H15BrN6.C18H16N6.C17H14BrN7/c19-15-11-22-18(24-14-4-5-16-12(9-14)10-23-26-16)25-17(15)21-8-6-13-3-1-2-7-20-13;19-15-11-22-18(24-14-5-4-12-10-23-26-16(12)9-14)25-17(15)21-8-6-13-3-1-2-7-20-13;19-14-11-23-18(24-16-6-3-5-15-13(16)7-9-21-15)25-17(14)22-10-12-4-1-2-8-20-12;1-2-8-19-15(3-1)12-22-17-7-10-21-18(24-17)23-14-4-5-16-13(11-14)6-9-20-16;18-14-10-21-17(23-12-4-5-15-11(7-12)8-22-25-15)24-16(14)20-9-13-3-1-2-6-19-13/h2*1-5,7,9-11H,6,8H2,(H,23,26)(H2,21,22,24,25);1-9,11,21H,10H2,(H2,22,23,24,25);1-11,20H,12H2,(H2,21,22,23,24);1-8,10H,9H2,(H,22,25)(H2,20,21,23,24)
InChIKeyDPCKDVZZZMPFJA-UHFFFAOYSA-N
XLogP19.86
TPSA431.27 Ų
H-Bond Donors15
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001928.44
LogP ≤ 519.86
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1028

Analyze 5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 173204712) is 5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Brc1cnc(Nc2ccc3[nH]ncc3c2)nc1NCCc1ccccn1.Brc1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1.Brc1cnc(Nc2ccc3cn[nH]c3c2)nc1NCCc1ccccn1.Brc1cnc(Nc2cccc3[nH]ccc23)nc1NCc1ccccn1.c1ccc(CNc2ccnc(Nc3ccc4[nH]ccc4c3)n2)nc1.
What is the InChIKey of 5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is DPCKDVZZZMPFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16BrN7.C18H15BrN6.C18H16N6.C17H14BrN7/c19-15-11-22-18(24-14-4-5-16-12(9-14)10-23-26-16)25-17(15)21-8-6-13-3-1-2-7-20-13;19-15-11-22-18(24-14-5-4-12-10-23-26-16(12)9-14)25-17(15)21-8-6-13-3-1-2-7-20-13;19-14-11-23-18(24-16-6-3-5-15-13(16)7-9-21-15)25-17(14)22-10-12-4-1-2-8-20-12;1-2-8-19-15(3-1)12-22-17-7-10-21-18(24-17)23-14-4-5-16-13(11-14)6-9-20-16;18-14-10-21-17(23-12-4-5-15-11(7-12)8-22-25-15)24-16(14)20-9-13-3-1-2-6-19-13/h2*1-5,7,9-11H,6,8H2,(H,23,26)(H2,21,22,24,25);1-9,11,21H,10H2,(H2,22,23,24,25);1-11,20H,12H2,(H2,21,22,23,24);1-8,10H,9H2,(H,22,25)(H2,20,21,23,24).
What are the key properties of 5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 1928.44 g/mol, XLogP of 19.86, 27 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 173204712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).