N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide

C24H32N4O4 — CID 163276893

IUPACN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide
SMILESCCOC1CC1C(=O)Nc1ccc(OCCN2CCOCC2)c(-c2c(C)ncnc2C)c1
InChIInChI=1S/C24H32N4O4/c1-4-31-22-14-20(22)24(29)27-18-5-6-21(32-12-9-28-7-10-30-11-8-28)19(13-18)23-16(2)25-15-26-17(23)3/h5-6,13,15,20,22H,4,7-12,14H2,1-3H3,(H,27,29)
InChIKeyXCSVIGNXDIFLAE-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.83
Rot. Bonds9

About N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide (PubChem CID 163276893) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide
PubChem CID163276893
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide
SMILESCCOC1CC1C(=O)Nc1ccc(OCCN2CCOCC2)c(-c2c(C)ncnc2C)c1
InChIInChI=1S/C24H32N4O4/c1-4-31-22-14-20(22)24(29)27-18-5-6-21(32-12-9-28-7-10-30-11-8-28)19(13-18)23-16(2)25-15-26-17(23)3/h5-6,13,15,20,22H,4,7-12,14H2,1-3H3,(H,27,29)
InChIKeyXCSVIGNXDIFLAE-UHFFFAOYSA-N
XLogP2.83
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

cis-(1S,2S)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-fluorocyclopropane-1-carboxamide
CID 163276956
2-cyclopropyloxy-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 163276960
N-[4-[2-(azetidin-1-yl)ethoxy]-3-(4,6-dimethylpyrimidin-5-yl)phenyl]-4-methylbenzamide
CID 163277063
cis-(1S,2S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-fluorocyclopropane-1-carboxamide
CID 163277092
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 176870037
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 163276830
N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277132
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide
CID 163276752
2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 176870040
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 163277064
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-[methyl(2-methylsulfinylethyl)amino]ethoxy]phenyl]cyclopropanecarboxamide
CID 163276973
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide
CID 163277133

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide (CID 163276893) is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide is CCOC1CC1C(=O)Nc1ccc(OCCN2CCOCC2)c(-c2c(C)ncnc2C)c1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide?
The InChIKey is XCSVIGNXDIFLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-4-31-22-14-20(22)24(29)27-18-5-6-21(32-12-9-28-7-10-30-11-8-28)19(13-18)23-16(2)25-15-26-17(23)3/h5-6,13,15,20,22H,4,7-12,14H2,1-3H3,(H,27,29).
What are the key properties of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide?
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide is sourced from PubChem (CID 163276893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).