2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid

C16H17FN4O3 — CID 72886686

IUPAC2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid
SMILESCc1nc(N(C)C)ncc1C(=O)NC(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C16H17FN4O3/c1-9-12(8-18-16(19-9)21(2)3)14(22)20-13(15(23)24)10-5-4-6-11(17)7-10/h4-8,13H,1-3H3,(H,20,22)(H,23,24)
InChIKeyRGIPOOPGZCCHJW-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.55
Rot. Bonds5

About 2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid

2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid (PubChem CID 72886686) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid
PubChem CID72886686
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid
SMILESCc1nc(N(C)C)ncc1C(=O)NC(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C16H17FN4O3/c1-9-12(8-18-16(19-9)21(2)3)14(22)20-13(15(23)24)10-5-4-6-11(17)7-10/h4-8,13H,1-3H3,(H,20,22)(H,23,24)
InChIKeyRGIPOOPGZCCHJW-UHFFFAOYSA-N
XLogP1.55
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid?
The IUPAC name of 2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid (CID 72886686) is 2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid is Cc1nc(N(C)C)ncc1C(=O)NC(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid?
The InChIKey is RGIPOOPGZCCHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-9-12(8-18-16(19-9)21(2)3)14(22)20-13(15(23)24)10-5-4-6-11(17)7-10/h4-8,13H,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid?
2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid has a molecular weight of 332.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]amino]-2-(3-fluorophenyl)acetic acid is sourced from PubChem (CID 72886686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).