3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide

C20H23N3O3 — CID 53024200

IUPAC3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1oc2ncn(CCC(=O)Nc3ccc(C(C)C)cc3)c(=O)c2c1C
InChIInChI=1S/C20H23N3O3/c1-12(2)15-5-7-16(8-6-15)22-17(24)9-10-23-11-21-19-18(20(23)25)13(3)14(4)26-19/h5-8,11-12H,9-10H2,1-4H3,(H,22,24)
InChIKeyRQQCGYCKMYVLLL-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.76
Rot. Bonds5

About 3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide

3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 53024200) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID53024200
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1oc2ncn(CCC(=O)Nc3ccc(C(C)C)cc3)c(=O)c2c1C
InChIInChI=1S/C20H23N3O3/c1-12(2)15-5-7-16(8-6-15)22-17(24)9-10-23-11-21-19-18(20(23)25)13(3)14(4)26-19/h5-8,11-12H,9-10H2,1-4H3,(H,22,24)
InChIKeyRQQCGYCKMYVLLL-UHFFFAOYSA-N
XLogP3.76
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide
CID 53024029
N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
CID 53024146
N-(4-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
CID 53024145
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53024132
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 53024256
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 53024199
5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one
CID 53004435
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 53024246
4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-(4-propan-2-ylphenyl)butanamide
CID 22333946
5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 53024170
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 1150897
2-methyl-N-[4-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoylamino]phenyl]propanamide
CID 46669196

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide (CID 53024200) is 3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide is Cc1oc2ncn(CCC(=O)Nc3ccc(C(C)C)cc3)c(=O)c2c1C.
What is the InChIKey of 3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is RQQCGYCKMYVLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12(2)15-5-7-16(8-6-15)22-17(24)9-10-23-11-21-19-18(20(23)25)13(3)14(4)26-19/h5-8,11-12H,9-10H2,1-4H3,(H,22,24).
What are the key properties of 3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide?
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 353.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 53024200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).