N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide

C16H18N4O3 — CID 121121115

IUPACN-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide
SMILESCc1cncn(CCNC(=O)CNC(=O)c2ccccc2)c1=O
InChIInChI=1S/C16H18N4O3/c1-12-9-17-11-20(16(12)23)8-7-18-14(21)10-19-15(22)13-5-3-2-4-6-13/h2-6,9,11H,7-8,10H2,1H3,(H,18,21)(H,19,22)
InChIKeySLTYFCTULHEWOA-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.10
Rot. Bonds6

About N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide

N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 121121115) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide
PubChem CID121121115
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide
SMILESCc1cncn(CCNC(=O)CNC(=O)c2ccccc2)c1=O
InChIInChI=1S/C16H18N4O3/c1-12-9-17-11-20(16(12)23)8-7-18-14(21)10-19-15(22)13-5-3-2-4-6-13/h2-6,9,11H,7-8,10H2,1H3,(H,18,21)(H,19,22)
InChIKeySLTYFCTULHEWOA-UHFFFAOYSA-N
XLogP0.10
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121030
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121121241
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-nitrobenzamide
CID 121121235
2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121043
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea
CID 121121413
(E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide
CID 121121239
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 121121310
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 121121088
2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121023
3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121042
2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121100

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide (CID 121121115) is N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide is Cc1cncn(CCNC(=O)CNC(=O)c2ccccc2)c1=O.
What is the InChIKey of N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is SLTYFCTULHEWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-12-9-17-11-20(16(12)23)8-7-18-14(21)10-19-15(22)13-5-3-2-4-6-13/h2-6,9,11H,7-8,10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide?
N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 314.34 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 121121115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).