N-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide

C13H22N4O — CID 121328444

IUPACN-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide
SMILESCC1=CC(C)=NC(C)N1/C=N/CC(=O)NC(C)C
InChIInChI=1S/C13H22N4O/c1-9(2)15-13(18)7-14-8-17-11(4)6-10(3)16-12(17)5/h6,8-9,12H,7H2,1-5H3,(H,15,18)/b14-8+
InChIKeyGYOSPAJAFRMKAI-RIYZIHGNSA-N
MW250.35 g/mol
LogP1.57
Rot. Bonds4

About N-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide

N-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide (PubChem CID 121328444) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide
PubChem CID121328444
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide
SMILESCC1=CC(C)=NC(C)N1/C=N/CC(=O)NC(C)C
InChIInChI=1S/C13H22N4O/c1-9(2)15-13(18)7-14-8-17-11(4)6-10(3)16-12(17)5/h6,8-9,12H,7H2,1-5H3,(H,15,18)/b14-8+
InChIKeyGYOSPAJAFRMKAI-RIYZIHGNSA-N
XLogP1.57
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide?
The IUPAC name of N-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide (CID 121328444) is N-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide is CC1=CC(C)=NC(C)N1/C=N/CC(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide?
The InChIKey is GYOSPAJAFRMKAI-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)15-13(18)7-14-8-17-11(4)6-10(3)16-12(17)5/h6,8-9,12H,7H2,1-5H3,(H,15,18)/b14-8+.
What are the key properties of N-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide?
N-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 121328444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).