4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine

C16H20N4 — CID 97139085

IUPAC4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine
SMILESCc1ccccc1N1CCN(c2ccncn2)[C@H](C)C1
InChIInChI=1S/C16H20N4/c1-13-5-3-4-6-15(13)19-9-10-20(14(2)11-19)16-7-8-17-12-18-16/h3-8,12,14H,9-11H2,1-2H3/t14-/m1/s1
InChIKeyHZILPRUARGMCGK-CQSZACIVSA-N
MW268.36 g/mol
LogP2.50
Rot. Bonds2

About 4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine

4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine (PubChem CID 97139085) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine
PubChem CID97139085
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine
SMILESCc1ccccc1N1CCN(c2ccncn2)[C@H](C)C1
InChIInChI=1S/C16H20N4/c1-13-5-3-4-6-15(13)19-9-10-20(14(2)11-19)16-7-8-17-12-18-16/h3-8,12,14H,9-11H2,1-2H3/t14-/m1/s1
InChIKeyHZILPRUARGMCGK-CQSZACIVSA-N
XLogP2.50
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 98859123
6-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
CID 139415838
2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine
CID 56704337
azane;3-methyl-4-pyrimidin-4-ylmorpholine
CID 175987866
2-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]acetic acid
CID 98770791
1-methyl-2-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142625962
[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 96581267
1-adamantyl-[(3R)-3-methyl-4-pyrimidin-4-ylpiperazin-1-yl]methanone
CID 71682962
2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine
CID 130558111
4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine
CID 72871640
1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565
4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol
CID 130949550

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine (CID 97139085) is 4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine is Cc1ccccc1N1CCN(c2ccncn2)[C@H](C)C1.
What is the InChIKey of 4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine?
The InChIKey is HZILPRUARGMCGK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4/c1-13-5-3-4-6-15(13)19-9-10-20(14(2)11-19)16-7-8-17-12-18-16/h3-8,12,14H,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine?
4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine has a molecular weight of 268.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 97139085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).