N-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide

C21H24N4O4 — CID 20925311

IUPACN-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
SMILESCCOc1ccccc1N(C)C(=O)c1c(C)oc2ncnc(N3CCOCC3)c12
InChIInChI=1S/C21H24N4O4/c1-4-28-16-8-6-5-7-15(16)24(3)21(26)17-14(2)29-20-18(17)19(22-13-23-20)25-9-11-27-12-10-25/h5-8,13H,4,9-12H2,1-3H3
InChIKeyYDJPMYUBFCZESX-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.04
Rot. Bonds5

About N-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide

N-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 20925311) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID20925311
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
SMILESCCOc1ccccc1N(C)C(=O)c1c(C)oc2ncnc(N3CCOCC3)c12
InChIInChI=1S/C21H24N4O4/c1-4-28-16-8-6-5-7-15(16)24(3)21(26)17-14(2)29-20-18(17)19(22-13-23-20)25-9-11-27-12-10-25/h5-8,13H,4,9-12H2,1-3H3
InChIKeyYDJPMYUBFCZESX-UHFFFAOYSA-N
XLogP3.04
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide (CID 20925311) is N-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide is CCOc1ccccc1N(C)C(=O)c1c(C)oc2ncnc(N3CCOCC3)c12.
What is the InChIKey of N-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is YDJPMYUBFCZESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-4-28-16-8-6-5-7-15(16)24(3)21(26)17-14(2)29-20-18(17)19(22-13-23-20)25-9-11-27-12-10-25/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide?
N-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 20925311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).