4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine

C27H29N7O — CID 19138923

IUPAC4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
SMILESCOc1ccc(N2CCN(c3ncnc(NN(c4ccccc4)c4ccccc4)c3N)CC2)cc1
InChIInChI=1S/C27H29N7O/c1-35-24-14-12-21(13-15-24)32-16-18-33(19-17-32)27-25(28)26(29-20-30-27)31-34(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,20H,16-19,28H2,1H3,(H,29,30,31)
InChIKeySKFIYDHJMFULAG-UHFFFAOYSA-N
MW467.58 g/mol
LogP4.56
Rot. Bonds7

About 4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine

4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine (PubChem CID 19138923) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is 4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
PubChem CID19138923
Molecular FormulaC27H29N7O
Molecular Weight467.58 g/mol
Exact Mass467.24
IUPAC Name4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
SMILESCOc1ccc(N2CCN(c3ncnc(NN(c4ccccc4)c4ccccc4)c3N)CC2)cc1
InChIInChI=1S/C27H29N7O/c1-35-24-14-12-21(13-15-24)32-16-18-33(19-17-32)27-25(28)26(29-20-30-27)31-34(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,20H,16-19,28H2,1H3,(H,29,30,31)
InChIKeySKFIYDHJMFULAG-UHFFFAOYSA-N
XLogP4.56
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19138906
4-N-benzhydryl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19138956
6-[4-(4-methoxyphenyl)piperazin-1-yl]-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19138926
4-N-(2-ethoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139028
methyl 1-[5-amino-6-(2,2-diphenylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19146669
4-N-(3,5-dichlorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22544913
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139002
4-(2-methoxyphenoxy)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19139037
4-N-[(4-fluorophenyl)methyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139013
4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 19139445
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22541156
4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138606

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine?
The IUPAC name of 4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine (CID 19138923) is 4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for 4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine?
The canonical SMILES for 4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine is COc1ccc(N2CCN(c3ncnc(NN(c4ccccc4)c4ccccc4)c3N)CC2)cc1.
What is the InChIKey of 4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine?
The InChIKey is SKFIYDHJMFULAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O/c1-35-24-14-12-21(13-15-24)32-16-18-33(19-17-32)27-25(28)26(29-20-30-27)31-34(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,20H,16-19,28H2,1H3,(H,29,30,31).
What are the key properties of 4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine?
4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine has a molecular weight of 467.58 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 19138923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).