(2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid

C15H17FN4O2 — CID 40566637

IUPAC(2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid
SMILESN[C@H](CCCNc1nccc(-c2ccc(F)cc2)n1)C(=O)O
InChIInChI=1S/C15H17FN4O2/c16-11-5-3-10(4-6-11)13-7-9-19-15(20-13)18-8-1-2-12(17)14(21)22/h3-7,9,12H,1-2,8,17H2,(H,21,22)(H,18,19,20)/t12-/m1/s1
InChIKeyXAXCNUYUNPPUOF-GFCCVEGCSA-N
MW304.33 g/mol
LogP1.89
Rot. Bonds7

About (2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid

(2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid (PubChem CID 40566637) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is (2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid
PubChem CID40566637
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name(2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid
SMILESN[C@H](CCCNc1nccc(-c2ccc(F)cc2)n1)C(=O)O
InChIInChI=1S/C15H17FN4O2/c16-11-5-3-10(4-6-11)13-7-9-19-15(20-13)18-8-1-2-12(17)14(21)22/h3-7,9,12H,1-2,8,17H2,(H,21,22)(H,18,19,20)/t12-/m1/s1
InChIKeyXAXCNUYUNPPUOF-GFCCVEGCSA-N
XLogP1.89
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]pentanoic acid
CID 138805636
N'-(4-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 117224364
N'-[1-(2,6-dichlorophenyl)ethenyl]-N-[4-(4-fluorophenyl)pyrimidin-2-yl]propane-1,3-diamine;ethane
CID 143520800
2-amino-5-(4-fluorophenyl)pentanoic acid
CID 83639572
2-[[4-[4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetamide
CID 141007831
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 97454241
2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 104683281
1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one
CID 116901555
(2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid
CID 129470512
6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol
CID 58541626
4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide
CID 133309502
4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide
CID 22142690

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid?
The IUPAC name of (2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid (CID 40566637) is (2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid is N[C@H](CCCNc1nccc(-c2ccc(F)cc2)n1)C(=O)O.
What is the InChIKey of (2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid?
The InChIKey is XAXCNUYUNPPUOF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-11-5-3-10(4-6-11)13-7-9-19-15(20-13)18-8-1-2-12(17)14(21)22/h3-7,9,12H,1-2,8,17H2,(H,21,22)(H,18,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid?
(2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid has a molecular weight of 304.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]pentanoic acid is sourced from PubChem (CID 40566637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).