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

C24H32N4O4 — CID 163276893

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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