4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide

C25H37N5O2 — CID 83282344

IUPAC4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2nc(C(C)C)nc(COC)c2Cc2cc(C)ccc2C)CC1
InChIInChI=1S/C25H37N5O2/c1-7-26-25(31)30-12-10-29(11-13-30)24-21(15-20-14-18(4)8-9-19(20)5)22(16-32-6)27-23(28-24)17(2)3/h8-9,14,17H,7,10-13,15-16H2,1-6H3,(H,26,31)
InChIKeyJPZRJCJJEJTRRL-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.81
Rot. Bonds7

About 4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide

4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide (PubChem CID 83282344) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
PubChem CID83282344
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC Name4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2nc(C(C)C)nc(COC)c2Cc2cc(C)ccc2C)CC1
InChIInChI=1S/C25H37N5O2/c1-7-26-25(31)30-12-10-29(11-13-30)24-21(15-20-14-18(4)8-9-19(20)5)22(16-32-6)27-23(28-24)17(2)3/h8-9,14,17H,7,10-13,15-16H2,1-6H3,(H,26,31)
InChIKeyJPZRJCJJEJTRRL-UHFFFAOYSA-N
XLogP3.81
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide with MolForge

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Related Compounds

4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 91633161
N-ethyl-4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide
CID 83280659
N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide
CID 91633100
1-[4-[5-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 91633040
5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-(2-methylpropyl)pyrimidine
CID 83282592
1-[4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone
CID 83287112
4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 42811145
4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 83286372
4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 83283151
N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 83282334
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
2-methoxy-1-[4-[6-(methoxymethyl)-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 42811120

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide (CID 83282344) is 4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(c2nc(C(C)C)nc(COC)c2Cc2cc(C)ccc2C)CC1.
What is the InChIKey of 4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is JPZRJCJJEJTRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-7-26-25(31)30-12-10-29(11-13-30)24-21(15-20-14-18(4)8-9-19(20)5)22(16-32-6)27-23(28-24)17(2)3/h8-9,14,17H,7,10-13,15-16H2,1-6H3,(H,26,31).
What are the key properties of 4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide?
4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 83282344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).