4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one

C19H26N4O2 — CID 135644971

IUPAC4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCOc1ccccc1N1CCN(c2nc(C(C)(C)C)cc(=O)[nH]2)CC1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)16-13-17(24)21-18(20-16)23-11-9-22(10-12-23)14-7-5-6-8-15(14)25-4/h5-8,13H,9-12H2,1-4H3,(H,20,21,24)
InChIKeyXFMURMOHTORSQS-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.40
Rot. Bonds3

About 4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one

4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135644971) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID135644971
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCOc1ccccc1N1CCN(c2nc(C(C)(C)C)cc(=O)[nH]2)CC1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)16-13-17(24)21-18(20-16)23-11-9-22(10-12-23)14-7-5-6-8-15(14)25-4/h5-8,13H,9-12H2,1-4H3,(H,20,21,24)
InChIKeyXFMURMOHTORSQS-UHFFFAOYSA-N
XLogP2.40
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135465183
4-(3-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135762492
4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135973612
5-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135762505
5-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135644716
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 42682738
2-tert-butyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexa-2,5-diene-1,4-dione
CID 2309754
2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
CID 135933159
(5-tert-butyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854273
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
4-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one
CID 94948965

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 135644971) is 4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one is COc1ccccc1N1CCN(c2nc(C(C)(C)C)cc(=O)[nH]2)CC1.
What is the InChIKey of 4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is XFMURMOHTORSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)16-13-17(24)21-18(20-16)23-11-9-22(10-12-23)14-7-5-6-8-15(14)25-4/h5-8,13H,9-12H2,1-4H3,(H,20,21,24).
What are the key properties of 4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 342.44 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135644971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).