N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide

C23H33N5O — CID 91633100

IUPACN-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2nc(C(C)C)nc(C)c2Cc2ccc(C)cc2)CC1
InChIInChI=1S/C23H33N5O/c1-6-24-23(29)28-13-11-27(12-14-28)22-20(15-19-9-7-17(4)8-10-19)18(5)25-21(26-22)16(2)3/h7-10,16H,6,11-15H2,1-5H3,(H,24,29)
InChIKeyIVMYNVIBOLOACN-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.66
Rot. Bonds5

About N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide

N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 91633100) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID91633100
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC NameN-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2nc(C(C)C)nc(C)c2Cc2ccc(C)cc2)CC1
InChIInChI=1S/C23H33N5O/c1-6-24-23(29)28-13-11-27(12-14-28)22-20(15-19-9-7-17(4)8-10-19)18(5)25-21(26-22)16(2)3/h7-10,16H,6,11-15H2,1-5H3,(H,24,29)
InChIKeyIVMYNVIBOLOACN-UHFFFAOYSA-N
XLogP3.66
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
CID 83280590
1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 83279806
4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 83286372
N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 83282334
N-benzyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 3609310
1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone
CID 83281560
4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 83282344
N-tert-butyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 3881174
1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 4542156
N-ethyl-4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide
CID 83280659
cyclopropyl-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 91633074
N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide
CID 4232627

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide (CID 91633100) is N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide is CCNC(=O)N1CCN(c2nc(C(C)C)nc(C)c2Cc2ccc(C)cc2)CC1.
What is the InChIKey of N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is IVMYNVIBOLOACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-6-24-23(29)28-13-11-27(12-14-28)22-20(15-19-9-7-17(4)8-10-19)18(5)25-21(26-22)16(2)3/h7-10,16H,6,11-15H2,1-5H3,(H,24,29).
What are the key properties of N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide?
N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 91633100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).