3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide

C10H14BrN5 — CID 63873192

IUPAC3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1ncc(Br)cn1)C1CC1
InChIInChI=1S/C10H14BrN5/c11-7-5-14-10(15-6-7)16(8-1-2-8)4-3-9(12)13/h5-6,8H,1-4H2,(H3,12,13)
InChIKeyOOORZRGPLHNWDT-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.53
Rot. Bonds5

About 3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide

3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide (PubChem CID 63873192) has the molecular formula C10H14BrN5 and a molecular weight of 284.16 g/mol. Its IUPAC name is 3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide.

Molecular Properties

Compound Name3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide
PubChem CID63873192
Molecular FormulaC10H14BrN5
Molecular Weight284.16 g/mol
Exact Mass283.04
IUPAC Name3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1ncc(Br)cn1)C1CC1
InChIInChI=1S/C10H14BrN5/c11-7-5-14-10(15-6-7)16(8-1-2-8)4-3-9(12)13/h5-6,8H,1-4H2,(H3,12,13)
InChIKeyOOORZRGPLHNWDT-UHFFFAOYSA-N
XLogP1.53
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.53
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-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide?
The IUPAC name of 3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide (CID 63873192) is 3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide.
What is the SMILES notation for 3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide?
The canonical SMILES for 3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide is [H]/N=C(\N)CCN(c1ncc(Br)cn1)C1CC1.
What is the InChIKey of 3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide?
The InChIKey is OOORZRGPLHNWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN5/c11-7-5-14-10(15-6-7)16(8-1-2-8)4-3-9(12)13/h5-6,8H,1-4H2,(H3,12,13).
What are the key properties of 3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide?
3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide has a molecular weight of 284.16 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide is sourced from PubChem (CID 63873192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).