N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide

C14H17N3O4 — CID 91950154

IUPACN-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide
SMILESC=CCn1cnc2oc(C)c(C(=O)NCCOC)c2c1=O
InChIInChI=1S/C14H17N3O4/c1-4-6-17-8-16-13-11(14(17)19)10(9(2)21-13)12(18)15-5-7-20-3/h4,8H,1,5-7H2,2-3H3,(H,15,18)
InChIKeyFGKFOTBVDUCMHZ-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.86
Rot. Bonds6

About N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide

N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91950154) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID91950154
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide
SMILESC=CCn1cnc2oc(C)c(C(=O)NCCOC)c2c1=O
InChIInChI=1S/C14H17N3O4/c1-4-6-17-8-16-13-11(14(17)19)10(9(2)21-13)12(18)15-5-7-20-3/h4,8H,1,5-7H2,2-3H3,(H,15,18)
InChIKeyFGKFOTBVDUCMHZ-UHFFFAOYSA-N
XLogP0.86
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91950156
N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949989
5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one
CID 91950167
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-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 39103403
N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950232
6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950187
3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950002
N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 100815085
2,3-diethyl-N-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 46280370
3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91949977
3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949965

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide (CID 91950154) is N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide is C=CCn1cnc2oc(C)c(C(=O)NCCOC)c2c1=O.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is FGKFOTBVDUCMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-4-6-17-8-16-13-11(14(17)19)10(9(2)21-13)12(18)15-5-7-20-3/h4,8H,1,5-7H2,2-3H3,(H,15,18).
What are the key properties of N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide?
N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91950154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).