7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C19H20FN5O2 — CID 3154583

IUPAC7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)cc1OC
InChIInChI=1S/C19H20FN5O2/c1-26-16-8-5-12(9-17(16)27-2)15-10-14(11-3-6-13(20)7-4-11)22-19-23-18(21)24-25(15)19/h3-9,14-15H,10H2,1-2H3,(H3,21,22,23,24)
InChIKeyYSZDYLRQRYNETL-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.16
Rot. Bonds4

About 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 3154583) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID3154583
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)cc1OC
InChIInChI=1S/C19H20FN5O2/c1-26-16-8-5-12(9-17(16)27-2)15-10-14(11-3-6-13(20)7-4-11)22-19-23-18(21)24-25(15)19/h3-9,14-15H,10H2,1-2H3,(H3,21,22,23,24)
InChIKeyYSZDYLRQRYNETL-UHFFFAOYSA-N
XLogP3.16
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 3154583) is 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(C2CC(c3ccc(F)cc3)Nc3nc(N)nn32)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is YSZDYLRQRYNETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-26-16-8-5-12(9-17(16)27-2)15-10-14(11-3-6-13(20)7-4-11)22-19-23-18(21)24-25(15)19/h3-9,14-15H,10H2,1-2H3,(H3,21,22,23,24).
What are the key properties of 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 369.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 3154583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).