4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine

C18H24N4O — CID 118722995

IUPAC4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine
SMILESCc1cc(OCCCN2CCNCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-15-14-17(21-18(20-15)16-6-3-2-4-7-16)23-13-5-10-22-11-8-19-9-12-22/h2-4,6-7,14,19H,5,8-13H2,1H3
InChIKeyPTCKEBZMDRYVJZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.13
Rot. Bonds6

About 4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine

4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine (PubChem CID 118722995) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine
PubChem CID118722995
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine
SMILESCc1cc(OCCCN2CCNCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-15-14-17(21-18(20-15)16-6-3-2-4-7-16)23-13-5-10-22-11-8-19-9-12-22/h2-4,6-7,14,19H,5,8-13H2,1H3
InChIKeyPTCKEBZMDRYVJZ-UHFFFAOYSA-N
XLogP2.13
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-(4-phenylpiperazin-1-yl)propoxy]pyrimidine
CID 118723000
4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723351
2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine
CID 21256754
1-(3-phenoxypropyl)piperazine
CID 2760351
2-(3-piperazin-1-ylpropoxy)quinoline
CID 123227768
4-[2-[2,2-bis[(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]-2-(4-fluorophenyl)-6-methylpyrimidine
CID 173335253
3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole
CID 18540173
2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
CID 95922321
oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
CID 2943786
1-[3-(3,4-dimethylphenoxy)propyl]-1,4-diazepane
CID 43162422
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-piperazin-1-ylpropoxy)pyrimidine?
The IUPAC name of 4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine (CID 118722995) is 4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine.
What is the SMILES notation for 4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine?
The canonical SMILES for 4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine is Cc1cc(OCCCN2CCNCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine?
The InChIKey is PTCKEBZMDRYVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15-14-17(21-18(20-15)16-6-3-2-4-7-16)23-13-5-10-22-11-8-19-9-12-22/h2-4,6-7,14,19H,5,8-13H2,1H3.
What are the key properties of 4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine?
4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine has a molecular weight of 312.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine is sourced from PubChem (CID 118722995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).