2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol

C20H16F2N4O — CID 150232897

IUPAC2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol
SMILESOc1c(F)cc(-c2cc(NCCc3ccc4cc[nH]c4c3)ncn2)cc1F
InChIInChI=1S/C20H16F2N4O/c21-15-8-14(9-16(22)20(15)27)18-10-19(26-11-25-18)24-5-3-12-1-2-13-4-6-23-17(13)7-12/h1-2,4,6-11,23,27H,3,5H2,(H,24,25,26)
InChIKeyFVWBZOUJNQIFBC-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.26
Rot. Bonds5

About 2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol

2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol (PubChem CID 150232897) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is 2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol
PubChem CID150232897
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC Name2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol
SMILESOc1c(F)cc(-c2cc(NCCc3ccc4cc[nH]c4c3)ncn2)cc1F
InChIInChI=1S/C20H16F2N4O/c21-15-8-14(9-16(22)20(15)27)18-10-19(26-11-25-18)24-5-3-12-1-2-13-4-6-23-17(13)7-12/h1-2,4,6-11,23,27H,3,5H2,(H,24,25,26)
InChIKeyFVWBZOUJNQIFBC-UHFFFAOYSA-N
XLogP4.26
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol?
The IUPAC name of 2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol (CID 150232897) is 2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol?
The canonical SMILES for 2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol is Oc1c(F)cc(-c2cc(NCCc3ccc4cc[nH]c4c3)ncn2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol?
The InChIKey is FVWBZOUJNQIFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O/c21-15-8-14(9-16(22)20(15)27)18-10-19(26-11-25-18)24-5-3-12-1-2-13-4-6-23-17(13)7-12/h1-2,4,6-11,23,27H,3,5H2,(H,24,25,26).
What are the key properties of 2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol?
2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol has a molecular weight of 366.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[6-[2-(1H-indol-6-yl)ethylamino]pyrimidin-4-yl]phenol is sourced from PubChem (CID 150232897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).