5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine

C19H17ClN8O — CID 146305090

About 5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine

5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine (PubChem CID 146305090) has the molecular formula C19H17ClN8O and a molecular weight of 408.85 g/mol. Its IUPAC name is 5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine
• PubChem CID: 146305090
• Molecular Formula: C19H17ClN8O
• Molecular Weight: 408.85 g/mol
• Exact Mass: 408.12
• IUPAC Name: 5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine
• SMILES: C[C@@H](Cn1cnnn1)Oc1cc(-c2cnc(Nc3ccncc3)nc2)ccc1Cl
• InChI: InChI=1S/C19H17ClN8O/c1-13(11-28-12-24-26-27-28)29-18-8-14(2-3-17(18)20)15-9-22-19(23-10-15)25-16-4-6-21-7-5-16/h2-10,12-13H,11H2,1H3,(H,21,22,23,25)/t13-/m0/s1
• InChIKey: NTSHXOKSCXVEHY-ZDUSSCGKSA-N
• XLogP: 3.39
• TPSA: 103.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.85
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine?

The IUPAC name of 5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine (CID 146305090) is 5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine.

What is the SMILES notation for 5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine?

The canonical SMILES for 5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine is C[C@@H](Cn1cnnn1)Oc1cc(-c2cnc(Nc3ccncc3)nc2)ccc1Cl.

What is the InChIKey of 5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine?

The InChIKey is NTSHXOKSCXVEHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17ClN8O/c1-13(11-28-12-24-26-27-28)29-18-8-14(2-3-17(18)20)15-9-22-19(23-10-15)25-16-4-6-21-7-5-16/h2-10,12-13H,11H2,1H3,(H,21,22,23,25)/t13-/m0/s1.

What are the key properties of 5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine?

5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 408.85 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 146305090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).