N,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide

C17H29N5O2 — CID 137095090

IUPACN,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCc1c(C)nc(N2CCN(CC(=O)N(CC)CC)CC2)[nH]c1=O
InChIInChI=1S/C17H29N5O2/c1-5-14-13(4)18-17(19-16(14)24)22-10-8-20(9-11-22)12-15(23)21(6-2)7-3/h5-12H2,1-4H3,(H,18,19,24)
InChIKeyRTRZHIVTBHLLAL-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.63
Rot. Bonds6

About N,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide

N,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide (PubChem CID 137095090) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
PubChem CID137095090
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCc1c(C)nc(N2CCN(CC(=O)N(CC)CC)CC2)[nH]c1=O
InChIInChI=1S/C17H29N5O2/c1-5-14-13(4)18-17(19-16(14)24)22-10-8-20(9-11-22)12-15(23)21(6-2)7-3/h5-12H2,1-4H3,(H,18,19,24)
InChIKeyRTRZHIVTBHLLAL-UHFFFAOYSA-N
XLogP0.63
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide (CID 137095090) is N,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide is CCc1c(C)nc(N2CCN(CC(=O)N(CC)CC)CC2)[nH]c1=O.
What is the InChIKey of N,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is RTRZHIVTBHLLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-5-14-13(4)18-17(19-16(14)24)22-10-8-20(9-11-22)12-15(23)21(6-2)7-3/h5-12H2,1-4H3,(H,18,19,24).
What are the key properties of N,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 137095090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).