2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine

C17H22N4 — CID 64877661

IUPAC2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine
SMILESCC1(C)CNC(c2ccccc2)CN1Cc1ncccn1
InChIInChI=1S/C17H22N4/c1-17(2)13-20-15(14-7-4-3-5-8-14)11-21(17)12-16-18-9-6-10-19-16/h3-10,15,20H,11-13H2,1-2H3
InChIKeySPFWUGLTCWNOER-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.40
Rot. Bonds3

About 2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine

2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine (PubChem CID 64877661) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine
PubChem CID64877661
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine
SMILESCC1(C)CNC(c2ccccc2)CN1Cc1ncccn1
InChIInChI=1S/C17H22N4/c1-17(2)13-20-15(14-7-4-3-5-8-14)11-21(17)12-16-18-9-6-10-19-16/h3-10,15,20H,11-13H2,1-2H3
InChIKeySPFWUGLTCWNOER-UHFFFAOYSA-N
XLogP2.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine (CID 64877661) is 2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine is CC1(C)CNC(c2ccccc2)CN1Cc1ncccn1.
What is the InChIKey of 2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine?
The InChIKey is SPFWUGLTCWNOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-17(2)13-20-15(14-7-4-3-5-8-14)11-21(17)12-16-18-9-6-10-19-16/h3-10,15,20H,11-13H2,1-2H3.
What are the key properties of 2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine?
2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine has a molecular weight of 282.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 64877661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).