(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H24N4O — CID 110761276

IUPAC(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H24N4O/c1-3-15(2)16-5-7-17(8-6-16)18(24)22-11-13-23(14-12-22)19-20-9-4-10-21-19/h4-10,15H,3,11-14H2,1-2H3
InChIKeyDYDHWTYZJUSXAZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.95
Rot. Bonds4

About (4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 110761276) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID110761276
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H24N4O/c1-3-15(2)16-5-7-17(8-6-16)18(24)22-11-13-23(14-12-22)19-20-9-4-10-21-19/h4-10,15H,3,11-14H2,1-2H3
InChIKeyDYDHWTYZJUSXAZ-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 42934794
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
[4-[(tert-butylamino)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 59768517
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 46464002
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109111412
2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 2970650
[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109225372
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
[4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 119072911
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-propan-2-ylbenzoate
CID 9019880
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 110761276) is (4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CCC(C)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DYDHWTYZJUSXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-15(2)16-5-7-17(8-6-16)18(24)22-11-13-23(14-12-22)19-20-9-4-10-21-19/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of (4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110761276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).