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

C19H23N3O4 — CID 53209323

IUPACN-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)N(CCC(C)C)Cc1ccco1
InChIInChI=1S/C19H23N3O4/c1-12(2)7-8-22(10-14-6-5-9-25-14)19(24)15-13(3)26-17-16(15)18(23)21(4)11-20-17/h5-6,9,11-12H,7-8,10H2,1-4H3
InChIKeyLFSVGIQDAGWMRF-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.12
Rot. Bonds6

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

N-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53209323) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID53209323
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)N(CCC(C)C)Cc1ccco1
InChIInChI=1S/C19H23N3O4/c1-12(2)7-8-22(10-14-6-5-9-25-14)19(24)15-13(3)26-17-16(15)18(23)21(4)11-20-17/h5-6,9,11-12H,7-8,10H2,1-4H3
InChIKeyLFSVGIQDAGWMRF-UHFFFAOYSA-N
XLogP3.12
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209322
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
2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119233863
2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid
CID 119223894
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
N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949234
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 43051011
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 53023985
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853925

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 53209323) is N-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(C)c(=O)c2c1C(=O)N(CCC(C)C)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LFSVGIQDAGWMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12(2)7-8-22(10-14-6-5-9-25-14)19(24)15-13(3)26-17-16(15)18(23)21(4)11-20-17/h5-6,9,11-12H,7-8,10H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3,6-dimethyl-N-(3-methylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53209323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).