4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine

C24H28N4O — CID 118723000

IUPAC4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine
SMILESCc1cc(OCCCN2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C24H28N4O/c1-20-19-23(26-24(25-20)21-9-4-2-5-10-21)29-18-8-13-27-14-16-28(17-15-27)22-11-6-3-7-12-22/h2-7,9-12,19H,8,13-18H2,1H3
InChIKeyHKHYBCGUJHZCDJ-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.04
Rot. Bonds7

About 4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine

4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine (PubChem CID 118723000) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine
PubChem CID118723000
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine
SMILESCc1cc(OCCCN2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C24H28N4O/c1-20-19-23(26-24(25-20)21-9-4-2-5-10-21)29-18-8-13-27-14-16-28(17-15-27)22-11-6-3-7-12-22/h2-7,9-12,19H,8,13-18H2,1H3
InChIKeyHKHYBCGUJHZCDJ-UHFFFAOYSA-N
XLogP4.04
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine
CID 118722997
4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine
CID 118722995
4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723351
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine
CID 21256754
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
2-phenyl-9-[3-(4-phenylpiperazin-1-yl)propyl]purin-6-amine
CID 21493425
4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one
CID 135985971
2-chloro-6-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrimidin-4-amine
CID 53491181
1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
CID 94036722
1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 18925
but-2-enedioic acid;(4-methoxyphenyl)-[4-[2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]oxyethyl]piperazin-1-yl]methanone
CID 67748170

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine?
The IUPAC name of 4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine (CID 118723000) is 4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine.
What is the SMILES notation for 4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine?
The canonical SMILES for 4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine is Cc1cc(OCCCN2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine?
The InChIKey is HKHYBCGUJHZCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-20-19-23(26-24(25-20)21-9-4-2-5-10-21)29-18-8-13-27-14-16-28(17-15-27)22-11-6-3-7-12-22/h2-7,9-12,19H,8,13-18H2,1H3.
What are the key properties of 4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine?
4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine has a molecular weight of 388.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine is sourced from PubChem (CID 118723000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).