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

C17H17N3O4 — CID 59652230

IUPACN-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3oc(C)c(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C17H17N3O4/c1-9-10(2)24-17-13(9)15(21)19-14(20-17)16(22)18-8-11-5-4-6-12(7-11)23-3/h4-7H,8H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyJPBBHSUAQAWXHO-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.07
Rot. Bonds4

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

N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-2-carboxamide (PubChem CID 59652230) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-2-carboxamide
PubChem CID59652230
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3oc(C)c(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C17H17N3O4/c1-9-10(2)24-17-13(9)15(21)19-14(20-17)16(22)18-8-11-5-4-6-12(7-11)23-3/h4-7H,8H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyJPBBHSUAQAWXHO-UHFFFAOYSA-N
XLogP2.07
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-2-carboxamide (CID 59652230) is N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-2-carboxamide is COc1cccc(CNC(=O)c2nc3oc(C)c(C)c3c(=O)[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is JPBBHSUAQAWXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-9-10(2)24-17-13(9)15(21)19-14(20-17)16(22)18-8-11-5-4-6-12(7-11)23-3/h4-7H,8H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-furo[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 59652230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).