(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide

C11H17N3O — CID 121330191

IUPAC(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide
SMILESCC1=CC(C)=N/C(=C\C(=O)NC(C)C)N1
InChIInChI=1S/C11H17N3O/c1-7(2)12-11(15)6-10-13-8(3)5-9(4)14-10/h5-7,13H,1-4H3,(H,12,15)/b10-6-
InChIKeyCCMZSHGIUDPDDH-POHAHGRESA-N
MW207.28 g/mol
LogP1.32
Rot. Bonds2

About (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide

(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide (PubChem CID 121330191) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide
PubChem CID121330191
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide
SMILESCC1=CC(C)=N/C(=C\C(=O)NC(C)C)N1
InChIInChI=1S/C11H17N3O/c1-7(2)12-11(15)6-10-13-8(3)5-9(4)14-10/h5-7,13H,1-4H3,(H,12,15)/b10-6-
InChIKeyCCMZSHGIUDPDDH-POHAHGRESA-N
XLogP1.32
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide?
The IUPAC name of (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide (CID 121330191) is (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide.
What is the SMILES notation for (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide?
The canonical SMILES for (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide is CC1=CC(C)=N/C(=C\C(=O)NC(C)C)N1.
What is the InChIKey of (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide?
The InChIKey is CCMZSHGIUDPDDH-POHAHGRESA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)12-11(15)6-10-13-8(3)5-9(4)14-10/h5-7,13H,1-4H3,(H,12,15)/b10-6-.
What are the key properties of (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide?
(2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide has a molecular weight of 207.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4,6-dimethyl-1H-pyrimidin-2-ylidene)-N-propan-2-ylacetamide is sourced from PubChem (CID 121330191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).