4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol

C19H15FN4O — CID 56934984

IUPAC4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
SMILESOc1ccc(-c2cc3c(NCc4ccc(F)cc4)ncnc3[nH]2)cc1
InChIInChI=1S/C19H15FN4O/c20-14-5-1-12(2-6-14)10-21-18-16-9-17(24-19(16)23-11-22-18)13-3-7-15(25)8-4-13/h1-9,11,25H,10H2,(H2,21,22,23,24)
InChIKeyHXQMBTCDQFEKSL-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.08
Rot. Bonds4

About 4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol

4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol (PubChem CID 56934984) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
PubChem CID56934984
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
SMILESOc1ccc(-c2cc3c(NCc4ccc(F)cc4)ncnc3[nH]2)cc1
InChIInChI=1S/C19H15FN4O/c20-14-5-1-12(2-6-14)10-21-18-16-9-17(24-19(16)23-11-22-18)13-3-7-15(25)8-4-13/h1-9,11,25H,10H2,(H2,21,22,23,24)
InChIKeyHXQMBTCDQFEKSL-UHFFFAOYSA-N
XLogP4.08
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
The IUPAC name of 4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol (CID 56934984) is 4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol is Oc1ccc(-c2cc3c(NCc4ccc(F)cc4)ncnc3[nH]2)cc1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
The InChIKey is HXQMBTCDQFEKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c20-14-5-1-12(2-6-14)10-21-18-16-9-17(24-19(16)23-11-22-18)13-3-7-15(25)8-4-13/h1-9,11,25H,10H2,(H2,21,22,23,24).
What are the key properties of 4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol?
4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol has a molecular weight of 334.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol is sourced from PubChem (CID 56934984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).