N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide

C10H14Cl2N4O — CID 114073216

IUPACN-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C10H14Cl2N4O/c1-3-13-6(2)4-9(17)15-8-5-7(11)14-10(12)16-8/h5-6,13H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyWVSCJVGSLCYBFU-UHFFFAOYSA-N
MW277.16 g/mol
LogP2.11
Rot. Bonds5

About N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide

N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide (PubChem CID 114073216) has the molecular formula C10H14Cl2N4O and a molecular weight of 277.16 g/mol. Its IUPAC name is N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide
PubChem CID114073216
Molecular FormulaC10H14Cl2N4O
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC NameN-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C10H14Cl2N4O/c1-3-13-6(2)4-9(17)15-8-5-7(11)14-10(12)16-8/h5-6,13H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyWVSCJVGSLCYBFU-UHFFFAOYSA-N
XLogP2.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide?
The IUPAC name of N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide (CID 114073216) is N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1cc(Cl)nc(Cl)n1.
What is the InChIKey of N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide?
The InChIKey is WVSCJVGSLCYBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4O/c1-3-13-6(2)4-9(17)15-8-5-7(11)14-10(12)16-8/h5-6,13H,3-4H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide?
N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide has a molecular weight of 277.16 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide is sourced from PubChem (CID 114073216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).