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

C21H19AcN6O- — CID 20604285

IUPACactinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide
SMILESCc1cccc(-c2cc(Nc3cc(C)[nH]n3)nc(Oc3ccc([NH-])cc3)n2)c1.[Ac]
InChIInChI=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;
InChIKeyQWHTZTNZNGCIMG-UHFFFAOYSA-N
MW598.42 g/mol
LogP5.70
Rot. Bonds5

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 Nameactinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide
PubChem CID20604285
Molecular FormulaC21H19AcN6O-
Molecular Weight598.42 g/mol
Exact Mass598.19
IUPAC Nameactinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide
SMILESCc1cccc(-c2cc(Nc3cc(C)[nH]n3)nc(Oc3ccc([NH-])cc3)n2)c1.[Ac]
InChIInChI=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;
InChIKeyQWHTZTNZNGCIMG-UHFFFAOYSA-N
XLogP5.70
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.42
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).