N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide

C21H28N4O3 — CID 163277064

IUPACN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide
SMILESCOCCNCCOc1ccc(NC(=O)C2CC2)cc1-c1c(C)ncnc1C
InChIInChI=1S/C21H28N4O3/c1-14-20(15(2)24-13-23-14)18-12-17(25-21(26)16-4-5-16)6-7-19(18)28-11-9-22-8-10-27-3/h6-7,12-13,16,22H,4-5,8-11H2,1-3H3,(H,25,26)
InChIKeyFHUZQFUYSNGLGR-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.72
Rot. Bonds10

About N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 163277064) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide
PubChem CID163277064
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide
SMILESCOCCNCCOc1ccc(NC(=O)C2CC2)cc1-c1c(C)ncnc1C
InChIInChI=1S/C21H28N4O3/c1-14-20(15(2)24-13-23-14)18-12-17(25-21(26)16-4-5-16)6-7-19(18)28-11-9-22-8-10-27-3/h6-7,12-13,16,22H,4-5,8-11H2,1-3H3,(H,25,26)
InChIKeyFHUZQFUYSNGLGR-UHFFFAOYSA-N
XLogP2.72
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-[methyl(2-methylsulfinylethyl)amino]ethoxy]phenyl]cyclopropanecarboxamide
CID 163276973
N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide
CID 163276867
cis-(1S,2S)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-fluorocyclopropane-1-carboxamide
CID 163276956
N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277132
2-cyclopropyloxy-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 163276960
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146700
N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112980891
N-[4-[2-(azetidin-1-yl)ethoxy]-3-(4,6-dimethylpyrimidin-5-yl)phenyl]-4-methylbenzamide
CID 163277063
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 163276830
N-[4-(azetidin-2-ylmethoxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277263
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 176870037
N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112752545

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide (CID 163277064) is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide is COCCNCCOc1ccc(NC(=O)C2CC2)cc1-c1c(C)ncnc1C.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is FHUZQFUYSNGLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-14-20(15(2)24-13-23-14)18-12-17(25-21(26)16-4-5-16)6-7-19(18)28-11-9-22-8-10-27-3/h6-7,12-13,16,22H,4-5,8-11H2,1-3H3,(H,25,26).
What are the key properties of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide?
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 163277064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).