(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C16H18N4O — CID 896524

IUPAC(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H18N4O/c1-13-5-2-3-6-14(13)15(21)19-9-11-20(12-10-19)16-17-7-4-8-18-16/h2-8H,9-12H2,1H3
InChIKeyFOTLLXSTHMRWCE-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.75
Rot. Bonds2

About (2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 896524) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID896524
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H18N4O/c1-13-5-2-3-6-14(13)15(21)19-9-11-20(12-10-19)16-17-7-4-8-18-16/h2-8H,9-12H2,1H3
InChIKeyFOTLLXSTHMRWCE-UHFFFAOYSA-N
XLogP1.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 43824625
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
(2-methylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707478
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 141265306
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 51164916
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 25284874
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 78777425
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 113079338
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251
(2-hydroxy-3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 112789368

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 896524) is (2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1ccccc1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FOTLLXSTHMRWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-13-5-2-3-6-14(13)15(21)19-9-11-20(12-10-19)16-17-7-4-8-18-16/h2-8H,9-12H2,1H3.
What are the key properties of (2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 282.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 896524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).