(2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide

C14H24N4O — CID 121328500

IUPAC(2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide
SMILESCC[C@@H](C)NC(=O)/C(NC)=C1\N=C(C)C=C(C)N1C
InChIInChI=1S/C14H24N4O/c1-7-9(2)17-14(19)12(15-5)13-16-10(3)8-11(4)18(13)6/h8-9,15H,7H2,1-6H3,(H,17,19)/b13-12-/t9-/m1/s1
InChIKeyCMIIQHYSNPWMFN-MMZVIXLHSA-N
MW264.37 g/mol
LogP1.60
Rot. Bonds4

About (2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide

(2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide (PubChem CID 121328500) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide
PubChem CID121328500
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide
SMILESCC[C@@H](C)NC(=O)/C(NC)=C1\N=C(C)C=C(C)N1C
InChIInChI=1S/C14H24N4O/c1-7-9(2)17-14(19)12(15-5)13-16-10(3)8-11(4)18(13)6/h8-9,15H,7H2,1-6H3,(H,17,19)/b13-12-/t9-/m1/s1
InChIKeyCMIIQHYSNPWMFN-MMZVIXLHSA-N
XLogP1.60
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide?
The IUPAC name of (2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide (CID 121328500) is (2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide.
What is the SMILES notation for (2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide?
The canonical SMILES for (2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide is CC[C@@H](C)NC(=O)/C(NC)=C1\N=C(C)C=C(C)N1C.
What is the InChIKey of (2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide?
The InChIKey is CMIIQHYSNPWMFN-MMZVIXLHSA-N. The full InChI is InChI=1S/C14H24N4O/c1-7-9(2)17-14(19)12(15-5)13-16-10(3)8-11(4)18(13)6/h8-9,15H,7H2,1-6H3,(H,17,19)/b13-12-/t9-/m1/s1.
What are the key properties of (2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide?
(2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide is sourced from PubChem (CID 121328500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).