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

C9H12ClFN4O — CID 79081259

IUPAC2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc(Cl)ncc1F
InChIInChI=1S/C9H12ClFN4O/c1-3-12-8(16)5(2)14-7-6(11)4-13-9(10)15-7/h4-5H,3H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyHMQZSNPMRRUCJL-UHFFFAOYSA-N
MW246.67 g/mol
LogP1.21
Rot. Bonds4

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

2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide (PubChem CID 79081259) has the molecular formula C9H12ClFN4O and a molecular weight of 246.67 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide
PubChem CID79081259
Molecular FormulaC9H12ClFN4O
Molecular Weight246.67 g/mol
Exact Mass246.07
IUPAC Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nc(Cl)ncc1F
InChIInChI=1S/C9H12ClFN4O/c1-3-12-8(16)5(2)14-7-6(11)4-13-9(10)15-7/h4-5H,3H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyHMQZSNPMRRUCJL-UHFFFAOYSA-N
XLogP1.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide
CID 80800082
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide
CID 79728652
2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 79081841
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89350737
ethyl (E,4R)-4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-5,5-dimethylhex-2-enoate
CID 86714739
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
CID 113344286
methyl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentanoate
CID 89401979
2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 79081085
2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 113408737
2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide
CID 107057196
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80801182
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide
CID 81036335

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide (CID 79081259) is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide?
The InChIKey is HMQZSNPMRRUCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN4O/c1-3-12-8(16)5(2)14-7-6(11)4-13-9(10)15-7/h4-5H,3H2,1-2H3,(H,12,16)(H,13,14,15).
What are the key properties of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide?
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide has a molecular weight of 246.67 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 79081259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).