4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol

C24H24N4OS — CID 17469469

IUPAC4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCc1sc2nc(-c3cccnc3)nc(NC3CCC(O)CC3)c2c1-c1ccccc1
InChIInChI=1S/C24H24N4OS/c1-15-20(16-6-3-2-4-7-16)21-23(26-18-9-11-19(29)12-10-18)27-22(28-24(21)30-15)17-8-5-13-25-14-17/h2-8,13-14,18-19,29H,9-12H2,1H3,(H,26,27,28)
InChIKeyIDCVALOGIXDMBX-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.44
Rot. Bonds4

About 4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol

4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 17469469) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID17469469
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCc1sc2nc(-c3cccnc3)nc(NC3CCC(O)CC3)c2c1-c1ccccc1
InChIInChI=1S/C24H24N4OS/c1-15-20(16-6-3-2-4-7-16)21-23(26-18-9-11-19(29)12-10-18)27-22(28-24(21)30-15)17-8-5-13-25-14-17/h2-8,13-14,18-19,29H,9-12H2,1H3,(H,26,27,28)
InChIKeyIDCVALOGIXDMBX-UHFFFAOYSA-N
XLogP5.44
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (CID 17469469) is 4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is Cc1sc2nc(-c3cccnc3)nc(NC3CCC(O)CC3)c2c1-c1ccccc1.
What is the InChIKey of 4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is IDCVALOGIXDMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-15-20(16-6-3-2-4-7-16)21-23(26-18-9-11-19(29)12-10-18)27-22(28-24(21)30-15)17-8-5-13-25-14-17/h2-8,13-14,18-19,29H,9-12H2,1H3,(H,26,27,28).
What are the key properties of 4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 416.55 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 17469469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).