(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide

C13H13N3O4 — CID 898057

IUPAC(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide
SMILESCn1c(NC(=O)/C=C/c2ccco2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H13N3O4/c1-15-10(8-12(18)16(2)13(15)19)14-11(17)6-5-9-4-3-7-20-9/h3-8H,1-2H3,(H,14,17)/b6-5+
InChIKeyYEKUZUVRBDCPAU-AATRIKPKSA-N
MW275.26 g/mol
LogP0.33
Rot. Bonds3

About (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 898057) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide
PubChem CID898057
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide
SMILESCn1c(NC(=O)/C=C/c2ccco2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H13N3O4/c1-15-10(8-12(18)16(2)13(15)19)14-11(17)6-5-9-4-3-7-20-9/h3-8H,1-2H3,(H,14,17)/b6-5+
InChIKeyYEKUZUVRBDCPAU-AATRIKPKSA-N
XLogP0.33
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
CID 690389
5-Furfurylidene hydantoin
CID 5370029
5-Furfurylidenebarbituric acid
CID 96927
(5E)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 6289442
6-amino-1-(2-furylmethyl)pyrimidine-2,4(1H,3H)-dione
CID 833803
(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(furan-2-yl)prop-2-enamide
CID 2465668
(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide
CID 2563667
1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea
CID 10726535
N-Carbamoyl-3-(furan-2-yl)prop-2-enamide
CID 44522951
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)furan-2-carboxamide
CID 868258
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3-(5-methyl-2-furyl)acrylamide
CID 896656
3-Allyl-5-[(5-methyl-2-furyl)methylene]-2,4-imidazolidinedione
CID 900425

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide (CID 898057) is (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide is Cn1c(NC(=O)/C=C/c2ccco2)cc(=O)n(C)c1=O.
What is the InChIKey of (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is YEKUZUVRBDCPAU-AATRIKPKSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-15-10(8-12(18)16(2)13(15)19)14-11(17)6-5-9-4-3-7-20-9/h3-8H,1-2H3,(H,14,17)/b6-5+.
What are the key properties of (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 275.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 898057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).