5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C56H54Br2N20 — CID 87957460

IUPAC5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESBrc1cnc(Nc2ccc3c(c2)CCN3)nc1NCCc1ccccn1.Cc1nc2ccc(Nc3ncc(Br)c(NCCc4ccccn4)n3)cc2[nH]1.Cc1nc2ccc(Nc3nccc(NCc4ccccn4)n3)cc2[nH]1
InChIInChI=1S/C19H18BrN7.C19H19BrN6.C18H17N7/c1-12-24-16-6-5-14(10-17(16)25-12)26-19-23-11-15(20)18(27-19)22-9-7-13-4-2-3-8-21-13;20-16-12-24-19(25-15-4-5-17-13(11-15)6-9-22-17)26-18(16)23-10-7-14-3-1-2-8-21-14;1-12-22-15-6-5-13(10-16(15)23-12)24-18-20-9-7-17(25-18)21-11-14-4-2-3-8-19-14/h2-6,8,10-11H,7,9H2,1H3,(H,24,25)(H2,22,23,26,27);1-5,8,11-12,22H,6-7,9-10H2,(H2,23,24,25,26);2-10H,11H2,1H3,(H,22,23)(H2,20,21,24,25)
InChIKeyDZNZABDRVYSSIV-UHFFFAOYSA-N
MW1167.00 g/mol
LogP11.63
Rot. Bonds17

About 5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 87957460) has the molecular formula C56H54Br2N20 and a molecular weight of 1167.00 g/mol. Its IUPAC name is 5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID87957460
Molecular FormulaC56H54Br2N20
Molecular Weight1167.00 g/mol
Exact Mass1164.32
IUPAC Name5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESBrc1cnc(Nc2ccc3c(c2)CCN3)nc1NCCc1ccccn1.Cc1nc2ccc(Nc3ncc(Br)c(NCCc4ccccn4)n3)cc2[nH]1.Cc1nc2ccc(Nc3nccc(NCc4ccccn4)n3)cc2[nH]1
InChIInChI=1S/C19H18BrN7.C19H19BrN6.C18H17N7/c1-12-24-16-6-5-14(10-17(16)25-12)26-19-23-11-15(20)18(27-19)22-9-7-13-4-2-3-8-21-13;20-16-12-24-19(25-15-4-5-17-13(11-15)6-9-22-17)26-18(16)23-10-7-14-3-1-2-8-21-14;1-12-22-15-6-5-13(10-16(15)23-12)24-18-20-9-7-17(25-18)21-11-14-4-2-3-8-19-14/h2-6,8,10-11H,7,9H2,1H3,(H,24,25)(H2,22,23,26,27);1-5,8,11-12,22H,6-7,9-10H2,(H2,23,24,25,26);2-10H,11H2,1H3,(H,22,23)(H2,20,21,24,25)
InChIKeyDZNZABDRVYSSIV-UHFFFAOYSA-N
XLogP11.63
TPSA257.58 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001167.00
LogP ≤ 511.63
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-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-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 87957460) is 5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Brc1cnc(Nc2ccc3c(c2)CCN3)nc1NCCc1ccccn1.Cc1nc2ccc(Nc3ncc(Br)c(NCCc4ccccn4)n3)cc2[nH]1.Cc1nc2ccc(Nc3nccc(NCc4ccccn4)n3)cc2[nH]1.
What is the InChIKey of 5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is DZNZABDRVYSSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN7.C19H19BrN6.C18H17N7/c1-12-24-16-6-5-14(10-17(16)25-12)26-19-23-11-15(20)18(27-19)22-9-7-13-4-2-3-8-21-13;20-16-12-24-19(25-15-4-5-17-13(11-15)6-9-22-17)26-18(16)23-10-7-14-3-1-2-8-21-14;1-12-22-15-6-5-13(10-16(15)23-12)24-18-20-9-7-17(25-18)21-11-14-4-2-3-8-19-14/h2-6,8,10-11H,7,9H2,1H3,(H,24,25)(H2,22,23,26,27);1-5,8,11-12,22H,6-7,9-10H2,(H2,23,24,25,26);2-10H,11H2,1H3,(H,22,23)(H2,20,21,24,25).
What are the key properties of 5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 1167.00 g/mol, XLogP of 11.63, 17 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(2,3-dihydro-1H-indol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;2-N-(2-methyl-3H-benzimidazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 87957460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).