3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide

C12H19BrN4 — CID 114869122

IUPAC3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1cc(C)c(Br)cn1)C(C)C
InChIInChI=1S/C12H19BrN4/c1-8(2)17(5-4-11(14)15)12-6-9(3)10(13)7-16-12/h6-8H,4-5H2,1-3H3,(H3,14,15)
InChIKeyAXPQKIBNPWRZFV-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.69
Rot. Bonds5

About 3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide

3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide (PubChem CID 114869122) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide.

Molecular Properties

Compound Name3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide
PubChem CID114869122
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1cc(C)c(Br)cn1)C(C)C
InChIInChI=1S/C12H19BrN4/c1-8(2)17(5-4-11(14)15)12-6-9(3)10(13)7-16-12/h6-8H,4-5H2,1-3H3,(H3,14,15)
InChIKeyAXPQKIBNPWRZFV-UHFFFAOYSA-N
XLogP2.69
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.69
H-Bond Donors ≤ 52
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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Related Compounds

3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]butanimidamide
CID 114869127
5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869981
3-[propan-2-yl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
CID 66328661
N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869637
N-[(2-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869638
3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide
CID 62733411
2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 114869687
3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
CID 62938598
3-[2,1-benzothiazol-3-yl(propan-2-yl)amino]propanimidamide
CID 66355709
4-[(3-amino-3-iminopropyl)-propan-2-ylamino]-N-methylpyridine-2-carboxamide
CID 54996820
3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide
CID 102881400
5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine
CID 114870004

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide?
The IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide (CID 114869122) is 3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide.
What is the SMILES notation for 3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide?
The canonical SMILES for 3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide is [H]/N=C(\N)CCN(c1cc(C)c(Br)cn1)C(C)C.
What is the InChIKey of 3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide?
The InChIKey is AXPQKIBNPWRZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-8(2)17(5-4-11(14)15)12-6-9(3)10(13)7-16-12/h6-8H,4-5H2,1-3H3,(H3,14,15).
What are the key properties of 3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide?
3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide has a molecular weight of 299.22 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-methyl-2-pyridinyl)-propan-2-ylamino]propanimidamide is sourced from PubChem (CID 114869122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).