N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide

C25H29N5O — CID 4232627

IUPACN-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1nc(C)c(Cc2ccccc2)c(N2CCN(C(=O)NCc3ccccc3)CC2)n1
InChIInChI=1S/C25H29N5O/c1-19-23(17-21-9-5-3-6-10-21)24(28-20(2)27-19)29-13-15-30(16-14-29)25(31)26-18-22-11-7-4-8-12-22/h3-12H,13-18H2,1-2H3,(H,26,31)
InChIKeyOWXCZCBRQULBCD-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.72
Rot. Bonds5

About N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide

N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 4232627) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID4232627
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC NameN-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1nc(C)c(Cc2ccccc2)c(N2CCN(C(=O)NCc3ccccc3)CC2)n1
InChIInChI=1S/C25H29N5O/c1-19-23(17-21-9-5-3-6-10-21)24(28-20(2)27-19)29-13-15-30(16-14-29)25(31)26-18-22-11-7-4-8-12-22/h3-12H,13-18H2,1-2H3,(H,26,31)
InChIKeyOWXCZCBRQULBCD-UHFFFAOYSA-N
XLogP3.72
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 3609310
N-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 5151861
N-benzyl-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 4199979
1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 42774981
[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 1027241
4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(4-bromophenyl)-1,4-diazepane-1-carboxamide
CID 1027669
4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(3-cyanophenyl)piperazine-1-carboxamide
CID 1027694
4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 4199042
[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 3546930
4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(3,4-difluorophenyl)-1,4-diazepane-1-carboxamide
CID 1027678
[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 1027279
N-tert-butyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 3881174

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide (CID 4232627) is N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1nc(C)c(Cc2ccccc2)c(N2CCN(C(=O)NCc3ccccc3)CC2)n1.
What is the InChIKey of N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is OWXCZCBRQULBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-19-23(17-21-9-5-3-6-10-21)24(28-20(2)27-19)29-13-15-30(16-14-29)25(31)26-18-22-11-7-4-8-12-22/h3-12H,13-18H2,1-2H3,(H,26,31).
What are the key properties of N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide?
N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 4232627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).