2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide

C15H13FN6O — CID 141007831

IUPAC2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide
SMILESNC(=O)CNc1nccc(-c2[nH]cnc2-c2ccc(F)cc2)n1
InChIInChI=1S/C15H13FN6O/c16-10-3-1-9(2-4-10)13-14(21-8-20-13)11-5-6-18-15(22-11)19-7-12(17)23/h1-6,8H,7H2,(H2,17,23)(H,20,21)(H,18,19,22)
InChIKeyJSMQHYGQEMTOQH-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.57
Rot. Bonds5

About 2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide

2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide (PubChem CID 141007831) has the molecular formula C15H13FN6O and a molecular weight of 312.31 g/mol. Its IUPAC name is 2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide
PubChem CID141007831
Molecular FormulaC15H13FN6O
Molecular Weight312.31 g/mol
Exact Mass312.11
IUPAC Name2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide
SMILESNC(=O)CNc1nccc(-c2[nH]cnc2-c2ccc(F)cc2)n1
InChIInChI=1S/C15H13FN6O/c16-10-3-1-9(2-4-10)13-14(21-8-20-13)11-5-6-18-15(22-11)19-7-12(17)23/h1-6,8H,7H2,(H2,17,23)(H,20,21)(H,18,19,22)
InChIKeyJSMQHYGQEMTOQH-UHFFFAOYSA-N
XLogP1.57
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid
CID 40566637
3-[[4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propanoic acid
CID 22255445
carbamoyl 2-[5-[2-(cyclopropylmethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylate
CID 56981736
4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxypyrimidine;4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methylsulfanylpyrimidine
CID 160935002
3-[[4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropanoic acid
CID 57438777
N-[(4-methoxyphenyl)methyl]-4-[4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine
CID 57204435
[4-(4-fluorophenyl)-5-[2-(2-phenylethylamino)pyrimidin-4-yl]triazol-1-yl]-(furan-2-yl)methanone
CID 10226096
N'-[4-[2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 22254834
carbamoyl 2-[4-(4-fluorophenyl)-5-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylate
CID 57170237
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide
CID 90465258
2-[4-(4-fluorophenyl)-5-[2-(prop-2-enylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid
CID 22255009
2-[4-(4-fluorophenyl)-5-[2-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-N-propan-2-yl-1,3-dioxane-5-carboxamide
CID 54385552

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide?
The IUPAC name of 2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide (CID 141007831) is 2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide?
The canonical SMILES for 2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide is NC(=O)CNc1nccc(-c2[nH]cnc2-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide?
The InChIKey is JSMQHYGQEMTOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O/c16-10-3-1-9(2-4-10)13-14(21-8-20-13)11-5-6-18-15(22-11)19-7-12(17)23/h1-6,8H,7H2,(H2,17,23)(H,20,21)(H,18,19,22).
What are the key properties of 2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide?
2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide has a molecular weight of 312.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 141007831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).