(4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol

C18H16FN5OS — CID 56928542

IUPAC(4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3sc(C)cc23)n[nH]1
InChIInChI=1S/C18H16FN5OS/c1-9-7-14(24-23-9)20-16-13-8-10(2)26-18(13)22-17(21-16)15(25)11-3-5-12(19)6-4-11/h3-8,15,25H,1-2H3,(H2,20,21,22,23,24)
InChIKeyKZWUCZLYYHOGCX-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.00
Rot. Bonds4

About (4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol

(4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol (PubChem CID 56928542) has the molecular formula C18H16FN5OS and a molecular weight of 369.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol
PubChem CID56928542
Molecular FormulaC18H16FN5OS
Molecular Weight369.43 g/mol
Exact Mass369.11
IUPAC Name(4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3sc(C)cc23)n[nH]1
InChIInChI=1S/C18H16FN5OS/c1-9-7-14(24-23-9)20-16-13-8-10(2)26-18(13)22-17(21-16)15(25)11-3-5-12(19)6-4-11/h3-8,15,25H,1-2H3,(H2,20,21,22,23,24)
InChIKeyKZWUCZLYYHOGCX-UHFFFAOYSA-N
XLogP4.00
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol
CID 44591133
2-(difluoro(4-fluorophenyl)methyl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 56928336
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol
CID 56928435
(4-fluorophenyl)(4-(5-methyl-1H-pyrazol-3-ylamino)thieno[3,2-d]pyrimidin-2-yl)methanol
CID 56928437
2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 56928440
2-(difluoro(4-fluorophenyl)methyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 56928441
(4-fluorophenyl)-[6-methyl-4-(1H-pyrazol-5-ylamino)thieno[2,3-d]pyrimidin-2-yl]methanol
CID 56928544
(4-fluorophenyl)(7-methyl-4-(5-methyl-1H-pyrazol-3-ylamino)thieno[3,2-d]pyrimidin-2-yl)methanol
CID 56928547
(4-(1H-Pyrazol-3-ylamino)-7-methylthieno[3,2-d]pyrimidin-2-yl)(4-fluorophenyl)methanol
CID 56928649
(4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]methanol
CID 56928652
(6-tert-butyl-4-(5-methyl-1H-pyrazol-3-ylamino)thieno[3,2-d]pyrimidin-2-yl)(4-fluorophenyl)methanol
CID 56928653
[6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol
CID 56928654

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol (CID 56928542) is (4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol is Cc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3sc(C)cc23)n[nH]1.
What is the InChIKey of (4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol?
The InChIKey is KZWUCZLYYHOGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5OS/c1-9-7-14(24-23-9)20-16-13-8-10(2)26-18(13)22-17(21-16)15(25)11-3-5-12(19)6-4-11/h3-8,15,25H,1-2H3,(H2,20,21,22,23,24).
What are the key properties of (4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol?
(4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol has a molecular weight of 369.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]methanol is sourced from PubChem (CID 56928542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).