N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine

C24H25N7 — CID 141081134

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccc(Nc3nccc(-c4cn[nH]c4-c4ccccc4)n3)cc2)CC1
InChIInChI=1S/C24H25N7/c1-30-13-15-31(16-14-30)20-9-7-19(8-10-20)27-24-25-12-11-22(28-24)21-17-26-29-23(21)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyPHVMGFZBCQXPQL-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.03
Rot. Bonds5

About N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine

N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine (PubChem CID 141081134) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine
PubChem CID141081134
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccc(Nc3nccc(-c4cn[nH]c4-c4ccccc4)n3)cc2)CC1
InChIInChI=1S/C24H25N7/c1-30-13-15-31(16-14-30)20-9-7-19(8-10-20)27-24-25-12-11-22(28-24)21-17-26-29-23(21)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyPHVMGFZBCQXPQL-UHFFFAOYSA-N
XLogP4.03
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 10456191
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 141081126
(4-methylpiperazin-1-yl)-[4-[[4-[5-(3-phenylmethoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]methanone
CID 11376226
N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68702089
4-(4-ethylpiperazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 112888335
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenoxypyrimidin-2-amine
CID 172514967
4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888637
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
CID 10457588
4-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 141081137
N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 142395558
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890634
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-amine
CID 142395589

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine (CID 141081134) is N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine is CN1CCN(c2ccc(Nc3nccc(-c4cn[nH]c4-c4ccccc4)n3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is PHVMGFZBCQXPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c1-30-13-15-31(16-14-30)20-9-7-19(8-10-20)27-24-25-12-11-22(28-24)21-17-26-29-23(21)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,26,29)(H,25,27,28).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 411.51 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 141081134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).