4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine

C18H24N4O — CID 12962125

IUPAC4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCN(CCOc3ccccc3)CC2)n1
InChIInChI=1S/C18H24N4O/c1-15-14-16(2)20-18(19-15)22-10-8-21(9-11-22)12-13-23-17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3
InChIKeyBSNPNVLEKBCFIK-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.29
Rot. Bonds5

About 4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine

4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine (PubChem CID 12962125) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine
PubChem CID12962125
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCN(CCOc3ccccc3)CC2)n1
InChIInChI=1S/C18H24N4O/c1-15-14-16(2)20-18(19-15)22-10-8-21(9-11-22)12-13-23-17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3
InChIKeyBSNPNVLEKBCFIK-UHFFFAOYSA-N
XLogP2.29
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133396442
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
CID 86976676
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146040653
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 146080024
5-(4-chlorophenyl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]-1,2,4-triazine
CID 25450142
1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
3-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 122607699
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
CID 78792856
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542
1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
CID 94036722

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine (CID 12962125) is 4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine is Cc1cc(C)nc(N2CCN(CCOc3ccccc3)CC2)n1.
What is the InChIKey of 4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine?
The InChIKey is BSNPNVLEKBCFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15-14-16(2)20-18(19-15)22-10-8-21(9-11-22)12-13-23-17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine?
4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine has a molecular weight of 312.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 12962125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).