3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide

C12H19N5 — CID 54997310

IUPAC3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nc(C)cc(C)n1)C1CC1
InChIInChI=1S/C12H19N5/c1-8-7-9(2)16-12(15-8)17(10-3-4-10)6-5-11(13)14/h7,10H,3-6H2,1-2H3,(H3,13,14)
InChIKeyCEAPVMNZSFXKFP-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.39
Rot. Bonds5

About 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide

3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide (PubChem CID 54997310) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide
PubChem CID54997310
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nc(C)cc(C)n1)C1CC1
InChIInChI=1S/C12H19N5/c1-8-7-9(2)16-12(15-8)17(10-3-4-10)6-5-11(13)14/h7,10H,3-6H2,1-2H3,(H3,13,14)
InChIKeyCEAPVMNZSFXKFP-UHFFFAOYSA-N
XLogP1.39
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.39
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-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide (CID 54997310) is 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide is [H]/N=C(\N)CCN(c1nc(C)cc(C)n1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide?
The InChIKey is CEAPVMNZSFXKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8-7-9(2)16-12(15-8)17(10-3-4-10)6-5-11(13)14/h7,10H,3-6H2,1-2H3,(H3,13,14).
What are the key properties of 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide?
3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide has a molecular weight of 233.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide is sourced from PubChem (CID 54997310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).