3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C21H21N5O4 — CID 91949952

IUPAC3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCn1cnc2oc(C)c(C(=O)Nc3ccc(-n4ccnc4C)cc3)c2c1=O
InChIInChI=1S/C21H21N5O4/c1-13-17(18-20(30-13)23-12-25(21(18)28)10-11-29-3)19(27)24-15-4-6-16(7-5-15)26-9-8-22-14(26)2/h4-9,12H,10-11H2,1-3H3,(H,24,27)
InChIKeyTYIOJYBKOFXUFL-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.69
Rot. Bonds6

About 3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91949952) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID91949952
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCn1cnc2oc(C)c(C(=O)Nc3ccc(-n4ccnc4C)cc3)c2c1=O
InChIInChI=1S/C21H21N5O4/c1-13-17(18-20(30-13)23-12-25(21(18)28)10-11-29-3)19(27)24-15-4-6-16(7-5-15)26-9-8-22-14(26)2/h4-9,12H,10-11H2,1-3H3,(H,24,27)
InChIKeyTYIOJYBKOFXUFL-UHFFFAOYSA-N
XLogP2.69
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91949977
3-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 51064538
3-(2-methoxyethyl)-6-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91950069
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949960
3-(3-methoxypropyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950301
3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950060
3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 39103403
N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 100815085
N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949989
N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950232
3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950002
3-[2-(dimethylamino)ethyl]-6-methyl-4-oxo-N-pyridin-3-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 71035745

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 91949952) is 3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is COCCn1cnc2oc(C)c(C(=O)Nc3ccc(-n4ccnc4C)cc3)c2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is TYIOJYBKOFXUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-13-17(18-20(30-13)23-12-25(21(18)28)10-11-29-3)19(27)24-15-4-6-16(7-5-15)26-9-8-22-14(26)2/h4-9,12H,10-11H2,1-3H3,(H,24,27).
What are the key properties of 3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91949952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).