3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide

C10H14ClFN4O — CID 79081180

IUPAC3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(Cl)ncc1F
InChIInChI=1S/C10H14ClFN4O/c1-2-4-13-8(17)3-5-14-9-7(12)6-15-10(11)16-9/h6H,2-5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyQUBZYLWLIOBULM-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.60
Rot. Bonds6

About 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide

3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide (PubChem CID 79081180) has the molecular formula C10H14ClFN4O and a molecular weight of 260.70 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide
PubChem CID79081180
Molecular FormulaC10H14ClFN4O
Molecular Weight260.70 g/mol
Exact Mass260.08
IUPAC Name3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(Cl)ncc1F
InChIInChI=1S/C10H14ClFN4O/c1-2-4-13-8(17)3-5-14-9-7(12)6-15-10(11)16-9/h6H,2-5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyQUBZYLWLIOBULM-UHFFFAOYSA-N
XLogP1.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide (CID 79081180) is 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(Cl)ncc1F.
What is the InChIKey of 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide?
The InChIKey is QUBZYLWLIOBULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN4O/c1-2-4-13-8(17)3-5-14-9-7(12)6-15-10(11)16-9/h6H,2-5H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide?
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide has a molecular weight of 260.70 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 79081180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).