(2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol

C20H24FN3OS — CID 71054297

IUPAC(2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol
SMILESCCCC(CCC)Nc1ncc2cc(C(O)c3ccccc3F)sc2n1
InChIInChI=1S/C20H24FN3OS/c1-3-7-14(8-4-2)23-20-22-12-13-11-17(26-19(13)24-20)18(25)15-9-5-6-10-16(15)21/h5-6,9-12,14,18,25H,3-4,7-8H2,1-2H3,(H,22,23,24)
InChIKeySEHPJOGYZUOJRR-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.29
Rot. Bonds8

About (2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol

(2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol (PubChem CID 71054297) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is (2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol.

Molecular Properties

Compound Name(2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol
PubChem CID71054297
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name(2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol
SMILESCCCC(CCC)Nc1ncc2cc(C(O)c3ccccc3F)sc2n1
InChIInChI=1S/C20H24FN3OS/c1-3-7-14(8-4-2)23-20-22-12-13-11-17(26-19(13)24-20)18(25)15-9-5-6-10-16(15)21/h5-6,9-12,14,18,25H,3-4,7-8H2,1-2H3,(H,22,23,24)
InChIKeySEHPJOGYZUOJRR-UHFFFAOYSA-N
XLogP5.29
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol?
The IUPAC name of (2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol (CID 71054297) is (2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol.
What is the SMILES notation for (2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol?
The canonical SMILES for (2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol is CCCC(CCC)Nc1ncc2cc(C(O)c3ccccc3F)sc2n1.
What is the InChIKey of (2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol?
The InChIKey is SEHPJOGYZUOJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c1-3-7-14(8-4-2)23-20-22-12-13-11-17(26-19(13)24-20)18(25)15-9-5-6-10-16(15)21/h5-6,9-12,14,18,25H,3-4,7-8H2,1-2H3,(H,22,23,24).
What are the key properties of (2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol?
(2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol has a molecular weight of 373.50 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol is sourced from PubChem (CID 71054297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).