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

C20H21BrN4O3 — CID 20925467

IUPACN-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)c2c(C(=O)Nc3ccc(Br)cc3C)c(C)oc2n1
InChIInChI=1S/C20H21BrN4O3/c1-11-10-14(21)4-5-15(11)24-19(26)16-12(2)28-20-17(16)18(22-13(3)23-20)25-6-8-27-9-7-25/h4-5,10H,6-9H2,1-3H3,(H,24,26)
InChIKeyLTWQCEHFMUIAIQ-UHFFFAOYSA-N
MW445.32 g/mol
LogP4.00
Rot. Bonds3

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

N-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 20925467) has the molecular formula C20H21BrN4O3 and a molecular weight of 445.32 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID20925467
Molecular FormulaC20H21BrN4O3
Molecular Weight445.32 g/mol
Exact Mass444.08
IUPAC NameN-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)c2c(C(=O)Nc3ccc(Br)cc3C)c(C)oc2n1
InChIInChI=1S/C20H21BrN4O3/c1-11-10-14(21)4-5-15(11)24-19(26)16-12(2)28-20-17(16)18(22-13(3)23-20)25-6-8-27-9-7-25/h4-5,10H,6-9H2,1-3H3,(H,24,26)
InChIKeyLTWQCEHFMUIAIQ-UHFFFAOYSA-N
XLogP4.00
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(2-methoxyphenyl)-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925246
4-bromo-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide
CID 55620636
4-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78861814
N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
CID 26439639
6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 136539683
ethyl 2-anilino-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxylate
CID 52940806
ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925009
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
6-methyl-4-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 92745643
N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016834
N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365478
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide (CID 20925467) is N-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide is Cc1nc(N2CCOCC2)c2c(C(=O)Nc3ccc(Br)cc3C)c(C)oc2n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LTWQCEHFMUIAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O3/c1-11-10-14(21)4-5-15(11)24-19(26)16-12(2)28-20-17(16)18(22-13(3)23-20)25-6-8-27-9-7-25/h4-5,10H,6-9H2,1-3H3,(H,24,26).
What are the key properties of N-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide?
N-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 445.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 20925467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).