(E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide

C10H13N3O3 — CID 919528

IUPAC(E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N(C)C
InChIInChI=1S/C10H13N3O3/c1-6-7(4-5-8(14)13(2)3)9(15)12-10(16)11-6/h4-5H,1-3H3,(H2,11,12,15,16)/b5-4+
InChIKeyZAWXVFNXNCTTNU-SNAWJCMRSA-N
MW223.23 g/mol
LogP-0.53
Rot. Bonds2

About (E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide

(E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide (PubChem CID 919528) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
PubChem CID919528
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N(C)C
InChIInChI=1S/C10H13N3O3/c1-6-7(4-5-8(14)13(2)3)9(15)12-10(16)11-6/h4-5H,1-3H3,(H2,11,12,15,16)/b5-4+
InChIKeyZAWXVFNXNCTTNU-SNAWJCMRSA-N
XLogP-0.53
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)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

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide (CID 919528) is (E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide is Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N(C)C.
What is the InChIKey of (E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide?
The InChIKey is ZAWXVFNXNCTTNU-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-7(4-5-8(14)13(2)3)9(15)12-10(16)11-6/h4-5H,1-3H3,(H2,11,12,15,16)/b5-4+.
What are the key properties of (E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide?
(E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide has a molecular weight of 223.23 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide is sourced from PubChem (CID 919528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).