actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide

C21H19AcN6O- — CID 20604285

About actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide

actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide (PubChem CID 20604285) has the molecular formula C21H19AcN6O- and a molecular weight of 598.42 g/mol. Its IUPAC name is actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide.

Molecular Properties

• Compound Name: actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide
• PubChem CID: 20604285
• Molecular Formula: C21H19AcN6O-
• Molecular Weight: 598.42 g/mol
• Exact Mass: 598.19
• IUPAC Name: actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide
• SMILES: Cc1cccc(-c2cc(Nc3cc(C)[nH]n3)nc(Oc3ccc([NH-])cc3)n2)c1.[Ac]
• InChI: InChI=1S/C21H19N6O.Ac/c1-13-4-3-5-15(10-13)18-12-19(24-20-11-14(2)26-27-20)25-21(23-18)28-17-8-6-16(22)7-9-17;/h3-12,22H,1-2H3,(H2,23,24,25,26,27);/q-1
• InChIKey: QWHTZTNZNGCIMG-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 99.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.42
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide?

The IUPAC name of actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide (CID 20604285) is actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide.

What is the SMILES notation for actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide?

The canonical SMILES for actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide is Cc1cccc(-c2cc(Nc3cc(C)[nH]n3)nc(Oc3ccc([NH-])cc3)n2)c1.[Ac].

What is the InChIKey of actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide?

The InChIKey is QWHTZTNZNGCIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N6O.Ac/c1-13-4-3-5-15(10-13)18-12-19(24-20-11-14(2)26-27-20)25-21(23-18)28-17-8-6-16(22)7-9-17;/h3-12,22H,1-2H3,(H2,23,24,25,26,27);/q-1;.

What are the key properties of actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide?

actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide has a molecular weight of 598.42 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide is sourced from PubChem (CID 20604285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).