N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C18H21N3O4 — CID 53209322

IUPACN-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCCCCN(Cc1ccco1)C(=O)c1c(C)oc2ncn(C)c(=O)c12
InChIInChI=1S/C18H21N3O4/c1-4-5-8-21(10-13-7-6-9-24-13)18(23)14-12(2)25-16-15(14)17(22)20(3)11-19-16/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyJLEUVZWISARHLX-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.87
Rot. Bonds6

About N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53209322) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID53209322
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCCCCN(Cc1ccco1)C(=O)c1c(C)oc2ncn(C)c(=O)c12
InChIInChI=1S/C18H21N3O4/c1-4-5-8-21(10-13-7-6-9-24-13)18(23)14-12(2)25-16-15(14)17(22)20(3)11-19-16/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyJLEUVZWISARHLX-UHFFFAOYSA-N
XLogP2.87
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209323
N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209506
N-[(4-ethoxyphenyl)methyl]-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55405801
N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 50978093
N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 46987628
N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50985062
N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 3620431
2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119233863
N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 46986640
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 31218675
3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701077
3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 95116969

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 53209322) is N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is CCCCN(Cc1ccco1)C(=O)c1c(C)oc2ncn(C)c(=O)c12.
What is the InChIKey of N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JLEUVZWISARHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-4-5-8-21(10-13-7-6-9-24-13)18(23)14-12(2)25-16-15(14)17(22)20(3)11-19-16/h6-7,9,11H,4-5,8,10H2,1-3H3.
What are the key properties of N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53209322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).