(4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol

C18H16FN5OS — CID 56928543

IUPAC(4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol
SMILESCc1cc2c(Nc3cn(C)cn3)nc(C(O)c3ccc(F)cc3)nc2s1
InChIInChI=1S/C18H16FN5OS/c1-10-7-13-16(21-14-8-24(2)9-20-14)22-17(23-18(13)26-10)15(25)11-3-5-12(19)6-4-11/h3-9,15,25H,1-2H3,(H,21,22,23)
InChIKeyVQRZKXJXEIMQCK-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.70
Rot. Bonds4

About (4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol

(4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol (PubChem CID 56928543) has the molecular formula C18H16FN5OS and a molecular weight of 369.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol
PubChem CID56928543
Molecular FormulaC18H16FN5OS
Molecular Weight369.43 g/mol
Exact Mass369.11
IUPAC Name(4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol
SMILESCc1cc2c(Nc3cn(C)cn3)nc(C(O)c3ccc(F)cc3)nc2s1
InChIInChI=1S/C18H16FN5OS/c1-10-7-13-16(21-14-8-24(2)9-20-14)22-17(23-18(13)26-10)15(25)11-3-5-12(19)6-4-11/h3-9,15,25H,1-2H3,(H,21,22,23)
InChIKeyVQRZKXJXEIMQCK-UHFFFAOYSA-N
XLogP3.70
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol (CID 56928543) is (4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol is Cc1cc2c(Nc3cn(C)cn3)nc(C(O)c3ccc(F)cc3)nc2s1.
What is the InChIKey of (4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol?
The InChIKey is VQRZKXJXEIMQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5OS/c1-10-7-13-16(21-14-8-24(2)9-20-14)22-17(23-18(13)26-10)15(25)11-3-5-12(19)6-4-11/h3-9,15,25H,1-2H3,(H,21,22,23).
What are the key properties of (4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol?
(4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol has a molecular weight of 369.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[6-methyl-4-[(1-methylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol is sourced from PubChem (CID 56928543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).