2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide

C11H16Cl2N4O — CID 113408737

IUPAC2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H16Cl2N4O/c1-4-17(5-2)10(18)7(3)15-9-8(12)6-14-11(13)16-9/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyAOCLMAGZNFNTOX-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.45
Rot. Bonds5

About 2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide

2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide (PubChem CID 113408737) has the molecular formula C11H16Cl2N4O and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide
PubChem CID113408737
Molecular FormulaC11H16Cl2N4O
Molecular Weight291.18 g/mol
Exact Mass290.07
IUPAC Name2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H16Cl2N4O/c1-4-17(5-2)10(18)7(3)15-9-8(12)6-14-11(13)16-9/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyAOCLMAGZNFNTOX-UHFFFAOYSA-N
XLogP2.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide (CID 113408737) is 2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide?
The InChIKey is AOCLMAGZNFNTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4O/c1-4-17(5-2)10(18)7(3)15-9-8(12)6-14-11(13)16-9/h6-7H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide?
2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide has a molecular weight of 291.18 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 113408737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).