3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide

C13H23N5 — CID 54993087

IUPAC3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)c1cc(C)nc(C(C)C)n1
InChIInChI=1S/C13H23N5/c1-5-18(7-6-11(14)15)12-8-10(4)16-13(17-12)9(2)3/h8-9H,5-7H2,1-4H3,(H3,14,15)
InChIKeyOWUQDEIHEKAUTA-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.06
Rot. Bonds6

About 3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide

3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide (PubChem CID 54993087) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
PubChem CID54993087
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)c1cc(C)nc(C(C)C)n1
InChIInChI=1S/C13H23N5/c1-5-18(7-6-11(14)15)12-8-10(4)16-13(17-12)9(2)3/h8-9H,5-7H2,1-4H3,(H3,14,15)
InChIKeyOWUQDEIHEKAUTA-UHFFFAOYSA-N
XLogP2.06
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
The IUPAC name of 3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide (CID 54993087) is 3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide.
What is the SMILES notation for 3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
The canonical SMILES for 3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide is [H]/N=C(\N)CCN(CC)c1cc(C)nc(C(C)C)n1.
What is the InChIKey of 3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
The InChIKey is OWUQDEIHEKAUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-5-18(7-6-11(14)15)12-8-10(4)16-13(17-12)9(2)3/h8-9H,5-7H2,1-4H3,(H3,14,15).
What are the key properties of 3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide has a molecular weight of 249.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide is sourced from PubChem (CID 54993087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).