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

C21H21N5O4 — CID 56568105

IUPAC3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1c(C)oc2ncn(C)c(=O)c12
InChIInChI=1S/C21H21N5O4/c1-10(2)17-24-19(30-25-17)13-8-6-7-11(3)16(13)23-18(27)14-12(4)29-20-15(14)21(28)26(5)9-22-20/h6-10H,1-5H3,(H,23,27)
InChIKeyLIVYKWLBVKDAEC-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.57
Rot. Bonds4

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

3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 56568105) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID56568105
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1c(C)oc2ncn(C)c(=O)c12
InChIInChI=1S/C21H21N5O4/c1-10(2)17-24-19(30-25-17)13-8-6-7-11(3)16(13)23-18(27)14-12(4)29-20-15(14)21(28)26(5)9-22-20/h6-10H,1-5H3,(H,23,27)
InChIKeyLIVYKWLBVKDAEC-UHFFFAOYSA-N
XLogP3.57
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-N-tert-butyl-1-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzene-1,4-dicarboxamide
CID 56568237
N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 40660482
tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate
CID 56568370
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949926
1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 56568622
1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 56568236
2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119233863
N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide
CID 56568362
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 56568465
N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 35533144
2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 56568526
2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid
CID 119223894

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 56568105) is 3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1c(C)oc2ncn(C)c(=O)c12.
What is the InChIKey of 3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LIVYKWLBVKDAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-10(2)17-24-19(30-25-17)13-8-6-7-11(3)16(13)23-18(27)14-12(4)29-20-15(14)21(28)26(5)9-22-20/h6-10H,1-5H3,(H,23,27).
What are the key properties of 3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 56568105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).