2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid

C15H19FN6O3 — CID 163316841

IUPAC2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H19FN6O3/c1-9-13(10(2)22(20-9)8-12(23)24)18-15-17-7-11(16)14(19-15)21-3-5-25-6-4-21/h7H,3-6,8H2,1-2H3,(H,23,24)(H,17,18,19)
InChIKeyNLMZGDFHLPQQQB-UHFFFAOYSA-N
MW350.35 g/mol
LogP1.09
Rot. Bonds5

About 2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid

2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid (PubChem CID 163316841) has the molecular formula C15H19FN6O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid
PubChem CID163316841
Molecular FormulaC15H19FN6O3
Molecular Weight350.35 g/mol
Exact Mass350.15
IUPAC Name2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1Nc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H19FN6O3/c1-9-13(10(2)22(20-9)8-12(23)24)18-15-17-7-11(16)14(19-15)21-3-5-25-6-4-21/h7H,3-6,8H2,1-2H3,(H,23,24)(H,17,18,19)
InChIKeyNLMZGDFHLPQQQB-UHFFFAOYSA-N
XLogP1.09
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[4-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-1-morpholin-4-ylethanone
CID 121544610
5-fluoro-4-morpholin-4-yl-N-[2-(3,4,5-trimethyl-1H-pyrazol-1-yl)ethyl]pyrimidin-2-amine
CID 132425757
Ethyl 2-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pyrazol-1-yl]-2-methylpropanoate
CID 133420771
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 134710252
N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 136574256
(5-{[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]amino}-3-methyl-1H-pyrazol-1-yl)acetic acid
CID 163317732
2-(2-Methylimidazol-1-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61493923
Pyrimidin-2-ylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 62698839
Methyl 4-(4-amino-3,5-dimethylpyrazol-1-yl)pyrimidine-2-carboxylate
CID 66285127
2-(1-Methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 114531020
N-(4,6-dimethyl-2-morpholinopyrimidin-5-yl)-2-(1H-pyrazol-1-yl)acetamide
CID 122356925
N-(4,6-dimethyl-2-morpholinopyrimidin-5-yl)-2-(1H-pyrazol-1-yl)propanamide
CID 122356946

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid (CID 163316841) is 2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid is Cc1nn(CC(=O)O)c(C)c1Nc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid?
The InChIKey is NLMZGDFHLPQQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O3/c1-9-13(10(2)22(20-9)8-12(23)24)18-15-17-7-11(16)14(19-15)21-3-5-25-6-4-21/h7H,3-6,8H2,1-2H3,(H,23,24)(H,17,18,19).
What are the key properties of 2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid?
2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid has a molecular weight of 350.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 163316841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).