cyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone

C25H32N4O2 — CID 83286539

IUPACcyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1cccc(Cc2c(C)nc(C3CC3)nc2N2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C25H32N4O2/c1-17-22(16-18-5-3-8-21(15-18)31-2)24(27-23(26-17)19-9-10-19)28-11-13-29(14-12-28)25(30)20-6-4-7-20/h3,5,8,15,19-20H,4,6-7,9-14,16H2,1-2H3
InChIKeyVMCYTFPZFOKXPT-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.71
Rot. Bonds6

About cyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone

cyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 83286539) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is cyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID83286539
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Namecyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1cccc(Cc2c(C)nc(C3CC3)nc2N2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C25H32N4O2/c1-17-22(16-18-5-3-8-21(15-18)31-2)24(27-23(26-17)19-9-10-19)28-11-13-29(14-12-28)25(30)20-6-4-7-20/h3,5,8,15,19-20H,4,6-7,9-14,16H2,1-2H3
InChIKeyVMCYTFPZFOKXPT-UHFFFAOYSA-N
XLogP3.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 83286342
cyclobutyl-[4-[2-cyclopropyl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 83287672
1-[4-[2-cyclopropyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 83286574
1-[4-[2-cyclopropyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286569
cyclobutyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 83280423
2-[2-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 110088478
cyclopropyl-[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 83282859
[4-[2-butan-2-yl-6-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-cyclobutylmethanone
CID 83280990
[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 83286476
[4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]-cyclopropylmethanone
CID 5181766
cyclopropyl-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 83280422
cyclopentyl-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 1029658

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone (CID 83286539) is cyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone is COc1cccc(Cc2c(C)nc(C3CC3)nc2N2CCN(C(=O)C3CCC3)CC2)c1.
What is the InChIKey of cyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is VMCYTFPZFOKXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-17-22(16-18-5-3-8-21(15-18)31-2)24(27-23(26-17)19-9-10-19)28-11-13-29(14-12-28)25(30)20-6-4-7-20/h3,5,8,15,19-20H,4,6-7,9-14,16H2,1-2H3.
What are the key properties of cyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
cyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 420.56 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 83286539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).