2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid

C15H16FN3O2 — CID 107553885

IUPAC2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3O2/c1-9(7-11-3-5-12(16)6-4-11)17-15-18-10(2)8-13(19-15)14(20)21/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyMUJQFBAITFWBLV-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.67
Rot. Bonds5

About 2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid

2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107553885) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
PubChem CID107553885
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3O2/c1-9(7-11-3-5-12(16)6-4-11)17-15-18-10(2)8-13(19-15)14(20)21/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyMUJQFBAITFWBLV-UHFFFAOYSA-N
XLogP2.67
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid (CID 107553885) is 2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(NC(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is MUJQFBAITFWBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-9(7-11-3-5-12(16)6-4-11)17-15-18-10(2)8-13(19-15)14(20)21/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid?
2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).