(2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid

C10H14FN3O2 — CID 120964210

IUPAC(2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](Nc1ncc(F)cn1)C(=O)O
InChIInChI=1S/C10H14FN3O2/c1-6(2)3-8(9(15)16)14-10-12-4-7(11)5-13-10/h4-6,8H,3H2,1-2H3,(H,15,16)(H,12,13,14)/t8-/m1/s1
InChIKeyOKKNWQXJLRIRQV-MRVPVSSYSA-N
MW227.24 g/mol
LogP1.53
Rot. Bonds5

About (2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid

(2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid (PubChem CID 120964210) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is (2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid
PubChem CID120964210
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name(2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](Nc1ncc(F)cn1)C(=O)O
InChIInChI=1S/C10H14FN3O2/c1-6(2)3-8(9(15)16)14-10-12-4-7(11)5-13-10/h4-6,8H,3H2,1-2H3,(H,15,16)(H,12,13,14)/t8-/m1/s1
InChIKeyOKKNWQXJLRIRQV-MRVPVSSYSA-N
XLogP1.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidinylornithine
CID 53965494
Dimeth-ylpyrimidylornithine
CID 129022004
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]propanoic acid
CID 66485417
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89350712
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]butanoic acid
CID 89350738
2-[(5-Fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89369792
2-[(5-Fluoropyrimidin-2-yl)amino]butanoic acid
CID 104605851
methyl (3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate
CID 118132319
3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentanoic acid
CID 118882787
(3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentanoic acid
CID 122694611
(3R)-3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-4,4-dimethylpentanoic acid
CID 134316786
(3R)-3-[(5-fluoro-2-iodopyrimidin-4-yl)amino]-4,4-dimethylpentanoic acid
CID 134318756

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid (CID 120964210) is (2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](Nc1ncc(F)cn1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid?
The InChIKey is OKKNWQXJLRIRQV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-6(2)3-8(9(15)16)14-10-12-4-7(11)5-13-10/h4-6,8H,3H2,1-2H3,(H,15,16)(H,12,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid?
(2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid has a molecular weight of 227.24 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 120964210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).