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

C19H19Cl2N5O2 — CID 3154587

IUPAC5-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(C2CC(c3ccc(Cl)cc3Cl)Nc3nc(N)nn32)cc1OC
InChIInChI=1S/C19H19Cl2N5O2/c1-27-16-6-3-10(7-17(16)28-2)15-9-14(12-5-4-11(20)8-13(12)21)23-19-24-18(22)25-26(15)19/h3-8,14-15H,9H2,1-2H3,(H3,22,23,24,25)
InChIKeyGLCRXIYUGYYDKI-UHFFFAOYSA-N
MW420.30 g/mol
LogP4.33
Rot. Bonds4

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

5-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 3154587) has the molecular formula C19H19Cl2N5O2 and a molecular weight of 420.30 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID3154587
Molecular FormulaC19H19Cl2N5O2
Molecular Weight420.30 g/mol
Exact Mass419.09
IUPAC Name5-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(C2CC(c3ccc(Cl)cc3Cl)Nc3nc(N)nn32)cc1OC
InChIInChI=1S/C19H19Cl2N5O2/c1-27-16-6-3-10(7-17(16)28-2)15-9-14(12-5-4-11(20)8-13(12)21)23-19-24-18(22)25-26(15)19/h3-8,14-15H,9H2,1-2H3,(H3,22,23,24,25)
InChIKeyGLCRXIYUGYYDKI-UHFFFAOYSA-N
XLogP4.33
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 3154587) is 5-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(C2CC(c3ccc(Cl)cc3Cl)Nc3nc(N)nn32)cc1OC.
What is the InChIKey of 5-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is GLCRXIYUGYYDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O2/c1-27-16-6-3-10(7-17(16)28-2)15-9-14(12-5-4-11(20)8-13(12)21)23-19-24-18(22)25-26(15)19/h3-8,14-15H,9H2,1-2H3,(H3,22,23,24,25).
What are the key properties of 5-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 420.30 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 3154587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).