N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide

C14H15FN4O2 — CID 63205828

IUPACN-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide
SMILESCc1cnc(=O)n(CCC(=O)Nc2ccc(F)cc2N)c1
InChIInChI=1S/C14H15FN4O2/c1-9-7-17-14(21)19(8-9)5-4-13(20)18-12-3-2-10(15)6-11(12)16/h2-3,6-8H,4-5,16H2,1H3,(H,18,20)
InChIKeyZQVRWEOVSUONQD-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.30
Rot. Bonds4

About N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide

N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide (PubChem CID 63205828) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide
PubChem CID63205828
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide
SMILESCc1cnc(=O)n(CCC(=O)Nc2ccc(F)cc2N)c1
InChIInChI=1S/C14H15FN4O2/c1-9-7-17-14(21)19(8-9)5-4-13(20)18-12-3-2-10(15)6-11(12)16/h2-3,6-8H,4-5,16H2,1H3,(H,18,20)
InChIKeyZQVRWEOVSUONQD-UHFFFAOYSA-N
XLogP1.30
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60872907
N-(3-amino-2-methylphenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide
CID 63205829
3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide
CID 63580933
N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide
CID 61383083
N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16788694
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)sulfanylacetamide
CID 61384650
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16786978
N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide
CID 61402394
N-(2-amino-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)sulfanylbutanamide
CID 61384713
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide (CID 63205828) is N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide is Cc1cnc(=O)n(CCC(=O)Nc2ccc(F)cc2N)c1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide?
The InChIKey is ZQVRWEOVSUONQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-9-7-17-14(21)19(8-9)5-4-13(20)18-12-3-2-10(15)6-11(12)16/h2-3,6-8H,4-5,16H2,1H3,(H,18,20).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide?
N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide has a molecular weight of 290.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 63205828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).