3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide

C18H19N3O6 — CID 29231564

IUPAC3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2c(C)oc3ncn(C)c(=O)c23)cc(OC)c1OC
InChIInChI=1S/C18H19N3O6/c1-9-13(14-17(27-9)19-8-21(2)18(14)23)16(22)20-10-6-11(24-3)15(26-5)12(7-10)25-4/h6-8H,1-5H3,(H,20,22)
InChIKeyOSAOSVMIGYMKQN-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.11
Rot. Bonds5

About 3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide

3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 29231564) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is 3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID29231564
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2c(C)oc3ncn(C)c(=O)c23)cc(OC)c1OC
InChIInChI=1S/C18H19N3O6/c1-9-13(14-17(27-9)19-8-21(2)18(14)23)16(22)20-10-6-11(24-3)15(26-5)12(7-10)25-4/h6-8H,1-5H3,(H,20,22)
InChIKeyOSAOSVMIGYMKQN-UHFFFAOYSA-N
XLogP2.11
TPSA104.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide
CID 53209333
N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 40660482
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 35997703
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 32735662
N-[6-(dimethylamino)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 30295845
N-[(3-methoxy-4-propoxyphenyl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55635299
3,6-dimethyl-4-oxo-N-[3-(2-thiophen-2-ylethynyl)phenyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 43048186
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209329
N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209384
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949926
N-[3-(4-bromoanilino)-3-oxopropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55952217
3,6-dimethyl-N'-(3-nitrobenzoyl)-4-oxofuro[2,3-d]pyrimidine-5-carbohydrazide
CID 29260150

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide (CID 29231564) is 3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide is COc1cc(NC(=O)c2c(C)oc3ncn(C)c(=O)c23)cc(OC)c1OC.
What is the InChIKey of 3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is OSAOSVMIGYMKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-9-13(14-17(27-9)19-8-21(2)18(14)23)16(22)20-10-6-11(24-3)15(26-5)12(7-10)25-4/h6-8H,1-5H3,(H,20,22).
What are the key properties of 3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide?
3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 373.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 29231564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).