5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine

C15H18N4 — CID 107590217

IUPAC5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine
SMILESCC1CNC(c2ccccc2)CN1c1cncnc1
InChIInChI=1S/C15H18N4/c1-12-7-18-15(13-5-3-2-4-6-13)10-19(12)14-8-16-11-17-9-14/h2-6,8-9,11-12,15,18H,7,10H2,1H3
InChIKeyYJVVXAFREONJEK-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.02
Rot. Bonds2

About 5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine

5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine (PubChem CID 107590217) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine
PubChem CID107590217
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine
SMILESCC1CNC(c2ccccc2)CN1c1cncnc1
InChIInChI=1S/C15H18N4/c1-12-7-18-15(13-5-3-2-4-6-13)10-19(12)14-8-16-11-17-9-14/h2-6,8-9,11-12,15,18H,7,10H2,1H3
InChIKeyYJVVXAFREONJEK-UHFFFAOYSA-N
XLogP2.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine
CID 64935055
1-(4-ethylphenyl)-2-methyl-5-phenylpiperazine
CID 64931217
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine
CID 169115914
1-(4-bromo-2-chlorophenyl)-2-methyl-5-phenylpiperazine
CID 64934541
1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine
CID 79760884
1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine
CID 64942217
1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
CID 80696742
ethane;(2S)-2-phenylaziridine
CID 145185749
2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine
CID 102908543
1-(cyclobutylmethyl)-2-methyl-5-phenylpiperazine
CID 64935189
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine (CID 107590217) is 5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine is CC1CNC(c2ccccc2)CN1c1cncnc1.
What is the InChIKey of 5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is YJVVXAFREONJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-12-7-18-15(13-5-3-2-4-6-13)10-19(12)14-8-16-11-17-9-14/h2-6,8-9,11-12,15,18H,7,10H2,1H3.
What are the key properties of 5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine?
5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 254.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 107590217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).