5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine

C9H10FN5O — CID 81342635

IUPAC5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine
SMILESCNc1ncc(F)c(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C9H10FN5O/c1-5-3-7(15-14-5)16-8-6(10)4-12-9(11-2)13-8/h3-4H,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyGUROHGSHYQKNSC-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.48
Rot. Bonds3

About 5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine

5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine (PubChem CID 81342635) has the molecular formula C9H10FN5O and a molecular weight of 223.21 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine
PubChem CID81342635
Molecular FormulaC9H10FN5O
Molecular Weight223.21 g/mol
Exact Mass223.09
IUPAC Name5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine
SMILESCNc1ncc(F)c(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C9H10FN5O/c1-5-3-7(15-14-5)16-8-6(10)4-12-9(11-2)13-8/h3-4H,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyGUROHGSHYQKNSC-UHFFFAOYSA-N
XLogP1.48
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine (CID 81342635) is 5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine is CNc1ncc(F)c(Oc2cc(C)[nH]n2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine?
The InChIKey is GUROHGSHYQKNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O/c1-5-3-7(15-14-5)16-8-6(10)4-12-9(11-2)13-8/h3-4H,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine?
5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine has a molecular weight of 223.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine is sourced from PubChem (CID 81342635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).