2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C20H25N7O — CID 91970519

IUPAC2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C20H25N7O/c1-14-4-6-16(7-5-14)28-20-22-17(21-18-12-15(2)24-25-18)13-19(23-20)27-10-8-26(3)9-11-27/h4-7,12-13H,8-11H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyKVUFEDZSADYFSM-UHFFFAOYSA-N
MW379.47 g/mol
LogP3.10
Rot. Bonds5

About 2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 91970519) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID91970519
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C20H25N7O/c1-14-4-6-16(7-5-14)28-20-22-17(21-18-12-15(2)24-25-18)13-19(23-20)27-10-8-26(3)9-11-27/h4-7,12-13H,8-11H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyKVUFEDZSADYFSM-UHFFFAOYSA-N
XLogP3.10
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-(4-nitrophenoxy)pyrimidin-4-amine (15a)
CID 91970516
N-[3-({4-(4-Methylpiperazin-1-Yl)-6-[(5-Methyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl}oxy)phenyl]prop-2-Enamide
CID 122186141
[2-(4-methoxy-phenyl)-ethyl]-{2-methoxy-6-[3-(1H-tetrazol-5-yl)-phenyl]-pyrimidin-4-yl}-amine
CID 53319216
Pyrazolo[1,5-a]-1,3,5-triazine, 12-2
CID 42618166
N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl)oxy)phenyl)propionamide (24)
CID 91844461
N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-(3-nitrophenoxy)pyrimidin-4-amine (14)
CID 91970515
N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-(4-(trifluoromethyl)phenoxy)pyrimidin-4-amine (15h)
CID 91970523
N-(3-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl)oxy)phenyl)propionamide (23)
CID 91970527
N-[4-({4-(4-Methylpiperazin-1-Yl)-6-[(5-Methyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl}oxy)phenyl]prop-2-Enamide
CID 68342470
4-{4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9609361
4-{4-[(2E)-2-(4-ethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9610620

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 91970519) is 2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is KVUFEDZSADYFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-14-4-6-16(7-5-14)28-20-22-17(21-18-12-15(2)24-25-18)13-19(23-20)27-10-8-26(3)9-11-27/h4-7,12-13H,8-11H2,1-3H3,(H2,21,22,23,24,25).
What are the key properties of 2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 379.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 91970519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).