(E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide

C19H23ClN4O3 — CID 18915204

IUPAC(E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCCCn1c(N)c(NC(=O)/C=C/c2ccc(Cl)cc2)c(=O)n(CCC)c1=O
InChIInChI=1S/C19H23ClN4O3/c1-3-11-23-17(21)16(18(26)24(12-4-2)19(23)27)22-15(25)10-7-13-5-8-14(20)9-6-13/h5-10H,3-4,11-12,21H2,1-2H3,(H,22,25)/b10-7+
InChIKeyQFBMTUUCPFHTOA-JXMROGBWSA-N
MW390.87 g/mol
LogP2.72
Rot. Bonds7

About (E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide

(E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 18915204) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is (E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID18915204
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name(E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCCCn1c(N)c(NC(=O)/C=C/c2ccc(Cl)cc2)c(=O)n(CCC)c1=O
InChIInChI=1S/C19H23ClN4O3/c1-3-11-23-17(21)16(18(26)24(12-4-2)19(23)27)22-15(25)10-7-13-5-8-14(20)9-6-13/h5-10H,3-4,11-12,21H2,1-2H3,(H,22,25)/b10-7+
InChIKeyQFBMTUUCPFHTOA-JXMROGBWSA-N
XLogP2.72
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 18915202
N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 54528547
(E)-N-(6-amino-1-methyl-2,4-dioxo-3-prop-2-ynylpyrimidin-5-yl)-3-(3-chlorophenyl)prop-2-enamide
CID 11078860
(E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide
CID 960270
(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867707
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
N-(4-butylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4090425
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide
CID 3331699
(E)-N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 10406213
(E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867709

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide (CID 18915204) is (E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide is CCCn1c(N)c(NC(=O)/C=C/c2ccc(Cl)cc2)c(=O)n(CCC)c1=O.
What is the InChIKey of (E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is QFBMTUUCPFHTOA-JXMROGBWSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-3-11-23-17(21)16(18(26)24(12-4-2)19(23)27)22-15(25)10-7-13-5-8-14(20)9-6-13/h5-10H,3-4,11-12,21H2,1-2H3,(H,22,25)/b10-7+.
What are the key properties of (E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 390.87 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 18915204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).