(Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide

C10H17N3O2 — CID 137034910

IUPAC(Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide
SMILESC/C(O)=C(/C(=O)N(C)C)C1=NCCCN1
InChIInChI=1S/C10H17N3O2/c1-7(14)8(10(15)13(2)3)9-11-5-4-6-12-9/h14H,4-6H2,1-3H3,(H,11,12)/b8-7-
InChIKeyQCIDRAXLWZPZOF-FPLPWBNLSA-N
MW211.26 g/mol
LogP0.30
Rot. Bonds2

About (Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide

(Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide (PubChem CID 137034910) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide.

Molecular Properties

Compound Name(Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide
PubChem CID137034910
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide
SMILESC/C(O)=C(/C(=O)N(C)C)C1=NCCCN1
InChIInChI=1S/C10H17N3O2/c1-7(14)8(10(15)13(2)3)9-11-5-4-6-12-9/h14H,4-6H2,1-3H3,(H,11,12)/b8-7-
InChIKeyQCIDRAXLWZPZOF-FPLPWBNLSA-N
XLogP0.30
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide?
The IUPAC name of (Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide (CID 137034910) is (Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide.
What is the SMILES notation for (Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide?
The canonical SMILES for (Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide is C/C(O)=C(/C(=O)N(C)C)C1=NCCCN1.
What is the InChIKey of (Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide?
The InChIKey is QCIDRAXLWZPZOF-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(14)8(10(15)13(2)3)9-11-5-4-6-12-9/h14H,4-6H2,1-3H3,(H,11,12)/b8-7-.
What are the key properties of (Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide?
(Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide has a molecular weight of 211.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide is sourced from PubChem (CID 137034910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).