N-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide

C18H24N4O — CID 167857430

IUPACN-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide
SMILESCc1ncc(C(C)Nc2ccc(NC(=O)C(C)C)cc2)c(C)n1
InChIInChI=1S/C18H24N4O/c1-11(2)18(23)22-16-8-6-15(7-9-16)21-13(4)17-10-19-14(5)20-12(17)3/h6-11,13,21H,1-5H3,(H,22,23)
InChIKeyCVRNAAMOPNKAOH-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.86
Rot. Bonds5

About N-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide

N-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide (PubChem CID 167857430) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide
PubChem CID167857430
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide
SMILESCc1ncc(C(C)Nc2ccc(NC(=O)C(C)C)cc2)c(C)n1
InChIInChI=1S/C18H24N4O/c1-11(2)18(23)22-16-8-6-15(7-9-16)21-13(4)17-10-19-14(5)20-12(17)3/h6-11,13,21H,1-5H3,(H,22,23)
InChIKeyCVRNAAMOPNKAOH-UHFFFAOYSA-N
XLogP3.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide
CID 75497865
2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide
CID 115917200
N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 75515894
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide
CID 43683718
N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide
CID 111433002
2-methyl-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]propanamide
CID 59002699
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[4-[1-(2,5-dichlorophenyl)ethylamino]phenyl]acetamide
CID 43111675
2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide
CID 84582047
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 32943144

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide (CID 167857430) is N-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide is Cc1ncc(C(C)Nc2ccc(NC(=O)C(C)C)cc2)c(C)n1.
What is the InChIKey of N-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide?
The InChIKey is CVRNAAMOPNKAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-11(2)18(23)22-16-8-6-15(7-9-16)21-13(4)17-10-19-14(5)20-12(17)3/h6-11,13,21H,1-5H3,(H,22,23).
What are the key properties of N-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide?
N-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide has a molecular weight of 312.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 167857430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).