2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide

C10H12Cl2N4O — CID 112735461

IUPAC2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide
SMILESNC(CC1CC1)C(=O)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N4O/c11-7-8(12)14-4-15-9(7)16-10(17)6(13)3-5-1-2-5/h4-6H,1-3,13H2,(H,14,15,16,17)
InChIKeyGBVBTJVGYMZUNL-UHFFFAOYSA-N
MW275.14 g/mol
LogP1.85
Rot. Bonds4

About 2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide

2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide (PubChem CID 112735461) has the molecular formula C10H12Cl2N4O and a molecular weight of 275.14 g/mol. Its IUPAC name is 2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide
PubChem CID112735461
Molecular FormulaC10H12Cl2N4O
Molecular Weight275.14 g/mol
Exact Mass274.04
IUPAC Name2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide
SMILESNC(CC1CC1)C(=O)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N4O/c11-7-8(12)14-4-15-9(7)16-10(17)6(13)3-5-1-2-5/h4-6H,1-3,13H2,(H,14,15,16,17)
InChIKeyGBVBTJVGYMZUNL-UHFFFAOYSA-N
XLogP1.85
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide?
The IUPAC name of 2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide (CID 112735461) is 2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide.
What is the SMILES notation for 2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide?
The canonical SMILES for 2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide is NC(CC1CC1)C(=O)Nc1ncnc(Cl)c1Cl.
What is the InChIKey of 2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide?
The InChIKey is GBVBTJVGYMZUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N4O/c11-7-8(12)14-4-15-9(7)16-10(17)6(13)3-5-1-2-5/h4-6H,1-3,13H2,(H,14,15,16,17).
What are the key properties of 2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide?
2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide has a molecular weight of 275.14 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide is sourced from PubChem (CID 112735461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).