N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

C26H19N7S — CID 30039219

IUPACN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2cc3c(NCc4ccc(-n5ccnc5)nc4)nc(-c4cccnc4)nc3s2)cc1
InChIInChI=1S/C26H19N7S/c1-2-5-19(6-3-1)22-13-21-25(31-24(32-26(21)34-22)20-7-4-10-27-16-20)30-15-18-8-9-23(29-14-18)33-12-11-28-17-33/h1-14,16-17H,15H2,(H,30,31,32)
InChIKeyUMGNVBYQGUSARB-UHFFFAOYSA-N
MW461.55 g/mol
LogP5.61
Rot. Bonds6

About N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 30039219) has the molecular formula C26H19N7S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID30039219
Molecular FormulaC26H19N7S
Molecular Weight461.55 g/mol
Exact Mass461.14
IUPAC NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2cc3c(NCc4ccc(-n5ccnc5)nc4)nc(-c4cccnc4)nc3s2)cc1
InChIInChI=1S/C26H19N7S/c1-2-5-19(6-3-1)22-13-21-25(31-24(32-26(21)34-22)20-7-4-10-27-16-20)30-15-18-8-9-23(29-14-18)33-12-11-28-17-33/h1-14,16-17H,15H2,(H,30,31,32)
InChIKeyUMGNVBYQGUSARB-UHFFFAOYSA-N
XLogP5.61
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.55
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (CID 30039219) is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is c1ccc(-c2cc3c(NCc4ccc(-n5ccnc5)nc4)nc(-c4cccnc4)nc3s2)cc1.
What is the InChIKey of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UMGNVBYQGUSARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7S/c1-2-5-19(6-3-1)22-13-21-25(31-24(32-26(21)34-22)20-7-4-10-27-16-20)30-15-18-8-9-23(29-14-18)33-12-11-28-17-33/h1-14,16-17H,15H2,(H,30,31,32).
What are the key properties of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 461.55 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 30039219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).