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

C8H10ClFN4O — CID 79081460

IUPAC2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide
SMILESCC(C)(Nc1nc(Cl)ncc1F)C(N)=O
InChIInChI=1S/C8H10ClFN4O/c1-8(2,6(11)15)14-5-4(10)3-12-7(9)13-5/h3H,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyBGTGYQSGCZNZMV-UHFFFAOYSA-N
MW232.65 g/mol
LogP0.94
Rot. Bonds3

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

2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide (PubChem CID 79081460) has the molecular formula C8H10ClFN4O and a molecular weight of 232.65 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide
PubChem CID79081460
Molecular FormulaC8H10ClFN4O
Molecular Weight232.65 g/mol
Exact Mass232.05
IUPAC Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide
SMILESCC(C)(Nc1nc(Cl)ncc1F)C(N)=O
InChIInChI=1S/C8H10ClFN4O/c1-8(2,6(11)15)14-5-4(10)3-12-7(9)13-5/h3H,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyBGTGYQSGCZNZMV-UHFFFAOYSA-N
XLogP0.94
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.65
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192316
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethyl carbamate
CID 83203927
ethyl 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]butanoate
CID 79076101
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89350737
methyl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentanoate
CID 89401979
2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 106196739
N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide
CID 130593845
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetaldehyde
CID 144524203
ethyl 2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]-(2,2-dimethylpropyl)amino]acetate
CID 156771314
1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154908
2-[[5-fluoro-2-(iodomethyl)pyrimidin-4-yl]amino]-2-methylpropanoic acid
CID 126690766
2-[(1R,4R)-4-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopent-2-en-1-yl]acetamide
CID 88987089

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide (CID 79081460) is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide is CC(C)(Nc1nc(Cl)ncc1F)C(N)=O.
What is the InChIKey of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide?
The InChIKey is BGTGYQSGCZNZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN4O/c1-8(2,6(11)15)14-5-4(10)3-12-7(9)13-5/h3H,1-2H3,(H2,11,15)(H,12,13,14).
What are the key properties of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide?
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide has a molecular weight of 232.65 g/mol, XLogP of 0.94, 3 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]-2-methylpropanamide is sourced from PubChem (CID 79081460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).