3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide

C17H22N4O2 — CID 167063109

IUPAC3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide
SMILESCCC(C)CC(=O)Nc1ccccc1CNc1cc(=O)[nH]cn1
InChIInChI=1S/C17H22N4O2/c1-3-12(2)8-17(23)21-14-7-5-4-6-13(14)10-18-15-9-16(22)20-11-19-15/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,21,23)(H2,18,19,20,22)
InChIKeyXVGLJVLNAQLVRH-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.76
Rot. Bonds7

About 3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide

3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide (PubChem CID 167063109) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide
PubChem CID167063109
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide
SMILESCCC(C)CC(=O)Nc1ccccc1CNc1cc(=O)[nH]cn1
InChIInChI=1S/C17H22N4O2/c1-3-12(2)8-17(23)21-14-7-5-4-6-13(14)10-18-15-9-16(22)20-11-19-15/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,21,23)(H2,18,19,20,22)
InChIKeyXVGLJVLNAQLVRH-UHFFFAOYSA-N
XLogP2.76
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide with MolForge

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Related Compounds

3-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959349
(3S)-N-[2-(ethylcarbamoylamino)phenyl]-3-methylpentanamide
CID 170568912
4-(1,3-benzodioxol-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136974593
4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one
CID 136975723
4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
CID 136817750
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylpentanamide
CID 114875544
N-(4-chloro-2-pyridinyl)-3-methylpentanamide
CID 114877777
N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide
CID 119438867
N-(2,4-dimethylphenyl)-3-methylpentanamide
CID 54564506
N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide
CID 75517137
4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973640
5-methyl-4-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]hexanoic acid
CID 137015828

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide?
The IUPAC name of 3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide (CID 167063109) is 3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide.
What is the SMILES notation for 3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide?
The canonical SMILES for 3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide is CCC(C)CC(=O)Nc1ccccc1CNc1cc(=O)[nH]cn1.
What is the InChIKey of 3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide?
The InChIKey is XVGLJVLNAQLVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-12(2)8-17(23)21-14-7-5-4-6-13(14)10-18-15-9-16(22)20-11-19-15/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,21,23)(H2,18,19,20,22).
What are the key properties of 3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide?
3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide has a molecular weight of 314.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]pentanamide is sourced from PubChem (CID 167063109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).