N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide

C16H20N4O — CID 62749463

IUPACN-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCc2ccnc(C)n2)c1
InChIInChI=1S/C16H20N4O/c1-4-16(21)20-13-6-5-11(2)15(9-13)18-10-14-7-8-17-12(3)19-14/h5-9,18H,4,10H2,1-3H3,(H,20,21)
InChIKeyYPPCPQLLGVRHTI-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.05
Rot. Bonds5

About N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide

N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide (PubChem CID 62749463) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide
PubChem CID62749463
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCc2ccnc(C)n2)c1
InChIInChI=1S/C16H20N4O/c1-4-16(21)20-13-6-5-11(2)15(9-13)18-10-14-7-8-17-12(3)19-14/h5-9,18H,4,10H2,1-3H3,(H,20,21)
InChIKeyYPPCPQLLGVRHTI-UHFFFAOYSA-N
XLogP3.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
CID 43677282
4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747165
N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide
CID 64579578
N-[3-[(2-bromophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677290
N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677249
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 43679078
methyl 3-methyl-4-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62748228
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 55892840
N-[3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methylphenyl]propanamide
CID 102831933
2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 62836559

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide?
The IUPAC name of N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide (CID 62749463) is N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide is CCC(=O)Nc1ccc(C)c(NCc2ccnc(C)n2)c1.
What is the InChIKey of N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide?
The InChIKey is YPPCPQLLGVRHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-16(21)20-13-6-5-11(2)15(9-13)18-10-14-7-8-17-12(3)19-14/h5-9,18H,4,10H2,1-3H3,(H,20,21).
What are the key properties of N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide?
N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide has a molecular weight of 284.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]propanamide is sourced from PubChem (CID 62749463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).