N-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide

C26H31N5O — CID 5151861

IUPACN-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCc1nc(C)nc(N2CCN(C(=O)NCc3ccccc3)CC2)c1Cc1ccccc1
InChIInChI=1S/C26H31N5O/c1-3-24-23(18-21-10-6-4-7-11-21)25(29-20(2)28-24)30-14-16-31(17-15-30)26(32)27-19-22-12-8-5-9-13-22/h4-13H,3,14-19H2,1-2H3,(H,27,32)
InChIKeySFVHHHCOXJYKNC-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.97
Rot. Bonds6

About N-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide

N-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 5151861) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is N-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID5151861
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC NameN-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCc1nc(C)nc(N2CCN(C(=O)NCc3ccccc3)CC2)c1Cc1ccccc1
InChIInChI=1S/C26H31N5O/c1-3-24-23(18-21-10-6-4-7-11-21)25(29-20(2)28-24)30-14-16-31(17-15-30)26(32)27-19-22-12-8-5-9-13-22/h4-13H,3,14-19H2,1-2H3,(H,27,32)
InChIKeySFVHHHCOXJYKNC-UHFFFAOYSA-N
XLogP3.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 4199979
N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide
CID 4232627
N-benzyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 3609310
1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 1027480
4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N,N-dimethylpiperazine-1-carboxamide
CID 4144430
4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4257801
1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-chloro-2-phenylethanone
CID 4193737
[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-bromophenyl)methanone
CID 1027502
4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide
CID 42775208
4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 1027771
[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-bromophenyl)methanone
CID 1027496
4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(2,4-dichlorophenyl)-1,4-diazepane-1-carboxamide
CID 1027747

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide (CID 5151861) is N-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide is CCc1nc(C)nc(N2CCN(C(=O)NCc3ccccc3)CC2)c1Cc1ccccc1.
What is the InChIKey of N-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is SFVHHHCOXJYKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-3-24-23(18-21-10-6-4-7-11-21)25(29-20(2)28-24)30-14-16-31(17-15-30)26(32)27-19-22-12-8-5-9-13-22/h4-13H,3,14-19H2,1-2H3,(H,27,32).
What are the key properties of N-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
N-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 3.97, 6 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-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 5151861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).