3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide

C14H18N4O2 — CID 68758490

IUPAC3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide
SMILESCCC1C(=O)NC(N)=N[C@]1(C)c1cccc(C(N)=O)c1
InChIInChI=1S/C14H18N4O2/c1-3-10-12(20)17-13(16)18-14(10,2)9-6-4-5-8(7-9)11(15)19/h4-7,10H,3H2,1-2H3,(H2,15,19)(H3,16,17,18,20)/t10?,14-/m1/s1
InChIKeyINIAXVJGQFAUJK-LNUXAPHWSA-N
MW274.32 g/mol
LogP0.47
Rot. Bonds3

About 3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide

3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide (PubChem CID 68758490) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide
PubChem CID68758490
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide
SMILESCCC1C(=O)NC(N)=N[C@]1(C)c1cccc(C(N)=O)c1
InChIInChI=1S/C14H18N4O2/c1-3-10-12(20)17-13(16)18-14(10,2)9-6-4-5-8(7-9)11(15)19/h4-7,10H,3H2,1-2H3,(H2,15,19)(H3,16,17,18,20)/t10?,14-/m1/s1
InChIKeyINIAXVJGQFAUJK-LNUXAPHWSA-N
XLogP0.47
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide
CID 57496605
3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 55631679
3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide
CID 25063752
3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
CID 139383396
3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 25063751
3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide
CID 58048309
3-[(1S,5R)-9-methoxy-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 139367992
3-[9-methoxy-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide;hydrochloride
CID 153419714
3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide
CID 154751330
3-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 139383609
3-[(1S,2S,3S)-1-hydroxy-2,3-bis(hydroxymethyl)cyclobutyl]benzamide
CID 10800732
3-(1-hydroxycyclohexyl)benzamide
CID 175712607

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide?
The IUPAC name of 3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide (CID 68758490) is 3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide.
What is the SMILES notation for 3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide?
The canonical SMILES for 3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide is CCC1C(=O)NC(N)=N[C@]1(C)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide?
The InChIKey is INIAXVJGQFAUJK-LNUXAPHWSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-10-12(20)17-13(16)18-14(10,2)9-6-4-5-8(7-9)11(15)19/h4-7,10H,3H2,1-2H3,(H2,15,19)(H3,16,17,18,20)/t10?,14-/m1/s1.
What are the key properties of 3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide?
3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide has a molecular weight of 274.32 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2-amino-5-ethyl-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]benzamide is sourced from PubChem (CID 68758490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).