N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide

C19H17FN4O — CID 143420632

IUPACN-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide
SMILESNc1nccc(-c2ccc(NC(=O)CCc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H17FN4O/c20-15-6-1-13(2-7-15)3-10-18(25)23-16-8-4-14(5-9-16)17-11-12-22-19(21)24-17/h1-2,4-9,11-12H,3,10H2,(H,23,25)(H2,21,22,24)
InChIKeyUVXGLFBUEKXWQW-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.44
Rot. Bonds5

About N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide

N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide (PubChem CID 143420632) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide
PubChem CID143420632
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide
SMILESNc1nccc(-c2ccc(NC(=O)CCc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H17FN4O/c20-15-6-1-13(2-7-15)3-10-18(25)23-16-8-4-14(5-9-16)17-11-12-22-19(21)24-17/h1-2,4-9,11-12H,3,10H2,(H,23,25)(H2,21,22,24)
InChIKeyUVXGLFBUEKXWQW-UHFFFAOYSA-N
XLogP3.44
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-aminopyrimidin-4-yl)phenyl]-2-phenylacetamide
CID 141138493
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
3-(4-fluorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622806
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531
3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 100514728
3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38167098
N,3-bis(4-methylphenyl)propanamide
CID 19220434
2-(4-fluorophenyl)-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 110726518
3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 18160949

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide (CID 143420632) is N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide is Nc1nccc(-c2ccc(NC(=O)CCc3ccc(F)cc3)cc2)n1.
What is the InChIKey of N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is UVXGLFBUEKXWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-6-1-13(2-7-15)3-10-18(25)23-16-8-4-14(5-9-16)17-11-12-22-19(21)24-17/h1-2,4-9,11-12H,3,10H2,(H,23,25)(H2,21,22,24).
What are the key properties of N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide?
N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 336.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 143420632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).