2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

C10H10FN5O2 — CID 104605998

IUPAC2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(Nc2ncc(F)cn2)C(=O)O)cn1
InChIInChI=1S/C10H10FN5O2/c1-16-5-6(2-14-16)8(9(17)18)15-10-12-3-7(11)4-13-10/h2-5,8H,1H3,(H,17,18)(H,12,13,15)
InChIKeyCYSSWRWHWFJNLJ-UHFFFAOYSA-N
MW251.22 g/mol
LogP0.59
Rot. Bonds4

About 2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 104605998) has the molecular formula C10H10FN5O2 and a molecular weight of 251.22 g/mol. Its IUPAC name is 2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID104605998
Molecular FormulaC10H10FN5O2
Molecular Weight251.22 g/mol
Exact Mass251.08
IUPAC Name2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(Nc2ncc(F)cn2)C(=O)O)cn1
InChIInChI=1S/C10H10FN5O2/c1-16-5-6(2-14-16)8(9(17)18)15-10-12-3-7(11)4-13-10/h2-5,8H,1H3,(H,17,18)(H,12,13,15)
InChIKeyCYSSWRWHWFJNLJ-UHFFFAOYSA-N
XLogP0.59
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84806708
2-(1-Methylpyrazol-4-yl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304413
2-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 108150921
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 108150922
2-(1-Methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
CID 115288469
2-(1-Pyrimidin-2-ylpyrazol-4-yl)acetic acid
CID 67027708
1-{[2-(isopropylamino)pyrimidin-5-yl]methyl}-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56914621
2-[(3-Methylpyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 83064014
2-Amino-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid
CID 83882720
2-Amino-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetic acid
CID 83890555
2-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 84767525
2-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
CID 84772251

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 104605998) is 2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is Cn1cc(C(Nc2ncc(F)cn2)C(=O)O)cn1.
What is the InChIKey of 2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is CYSSWRWHWFJNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O2/c1-16-5-6(2-14-16)8(9(17)18)15-10-12-3-7(11)4-13-10/h2-5,8H,1H3,(H,17,18)(H,12,13,15).
What are the key properties of 2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 251.22 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 104605998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).