[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol

C19H15FN4OS — CID 59278013

IUPAC[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
SMILESCc1cccc(-c2nc(N)c3cc(C(O)c4cccnc4F)sc3n2)c1
InChIInChI=1S/C19H15FN4OS/c1-10-4-2-5-11(8-10)18-23-17(21)13-9-14(26-19(13)24-18)15(25)12-6-3-7-22-16(12)20/h2-9,15,25H,1H3,(H2,21,23,24)
InChIKeyYWAGUHMPTRUPFF-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.86
Rot. Bonds3

About [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol

[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol (PubChem CID 59278013) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
PubChem CID59278013
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
SMILESCc1cccc(-c2nc(N)c3cc(C(O)c4cccnc4F)sc3n2)c1
InChIInChI=1S/C19H15FN4OS/c1-10-4-2-5-11(8-10)18-23-17(21)13-9-14(26-19(13)24-18)15(25)12-6-3-7-22-16(12)20/h2-9,15,25H,1H3,(H2,21,23,24)
InChIKeyYWAGUHMPTRUPFF-UHFFFAOYSA-N
XLogP3.86
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol?
The IUPAC name of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol (CID 59278013) is [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol?
The canonical SMILES for [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol is Cc1cccc(-c2nc(N)c3cc(C(O)c4cccnc4F)sc3n2)c1.
What is the InChIKey of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol?
The InChIKey is YWAGUHMPTRUPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c1-10-4-2-5-11(8-10)18-23-17(21)13-9-14(26-19(13)24-18)15(25)12-6-3-7-22-16(12)20/h2-9,15,25H,1H3,(H2,21,23,24).
What are the key properties of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol?
[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol has a molecular weight of 366.42 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 59278013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).