(E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

C20H26N4O5 — CID 175673353

IUPAC(E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCCn1c(NC)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c(=O)n(CC)c1=O
InChIInChI=1S/C20H26N4O5/c1-6-23-18(21-3)17(19(26)24(7-2)20(23)27)22-16(25)11-9-13-8-10-14(28-4)15(12-13)29-5/h8-12,21H,6-7H2,1-5H3,(H,22,25)/b11-9+
InChIKeyUMCLEWKKTCHLPF-PKNBQFBNSA-N
MW402.45 g/mol
LogP1.76
Rot. Bonds8

About (E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

(E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 175673353) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is (E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID175673353
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name(E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCCn1c(NC)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c(=O)n(CC)c1=O
InChIInChI=1S/C20H26N4O5/c1-6-23-18(21-3)17(19(26)24(7-2)20(23)27)22-16(25)11-9-13-8-10-14(28-4)15(12-13)29-5/h8-12,21H,6-7H2,1-5H3,(H,22,25)/b11-9+
InChIKeyUMCLEWKKTCHLPF-PKNBQFBNSA-N
XLogP1.76
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 10406213
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998
(E)-3-(3,4-dimethoxyphenyl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)prop-2-enamide
CID 100537200
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197468
(E)-3-(3,4-dimethoxyphenyl)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)prop-2-enamide
CID 122355888
N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 54528547
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
N-(2,6-diethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 1189011
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide (CID 175673353) is (E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide is CCn1c(NC)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c(=O)n(CC)c1=O.
What is the InChIKey of (E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is UMCLEWKKTCHLPF-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-6-23-18(21-3)17(19(26)24(7-2)20(23)27)22-16(25)11-9-13-8-10-14(28-4)15(12-13)29-5/h8-12,21H,6-7H2,1-5H3,(H,22,25)/b11-9+.
What are the key properties of (E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide?
(E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 402.45 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 175673353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).