3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide

C10H14Cl2N4O — CID 79632812

IUPAC3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(Cl)ncc1Cl
InChIInChI=1S/C10H14Cl2N4O/c1-2-4-13-8(17)3-5-14-9-7(11)6-15-10(12)16-9/h6H,2-5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyUNRYNVJESPMXLE-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.11
Rot. Bonds6

About 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide

3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide (PubChem CID 79632812) has the molecular formula C10H14Cl2N4O and a molecular weight of 277.15 g/mol. Its IUPAC name is 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide
PubChem CID79632812
Molecular FormulaC10H14Cl2N4O
Molecular Weight277.15 g/mol
Exact Mass276.05
IUPAC Name3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(Cl)ncc1Cl
InChIInChI=1S/C10H14Cl2N4O/c1-2-4-13-8(17)3-5-14-9-7(11)6-15-10(12)16-9/h6H,2-5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyUNRYNVJESPMXLE-UHFFFAOYSA-N
XLogP2.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide
CID 79075450
3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide
CID 113442663
3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide
CID 62477007
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 80819257
3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819690
3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411612
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80818525
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819584
3-(3,4-dichloroanilino)-N-propylpropanamide
CID 109011460
2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240010
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 113411173
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80903270

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide (CID 79632812) is 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(Cl)ncc1Cl.
What is the InChIKey of 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide?
The InChIKey is UNRYNVJESPMXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4O/c1-2-4-13-8(17)3-5-14-9-7(11)6-15-10(12)16-9/h6H,2-5H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide?
3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide has a molecular weight of 277.15 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 79632812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).