5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine

C15H20FN5O — CID 128565528

IUPAC5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine
SMILESCc1nc(C)c(F)c(NC2CCOC(c3ccnn3C)C2)n1
InChIInChI=1S/C15H20FN5O/c1-9-14(16)15(19-10(2)18-9)20-11-5-7-22-13(8-11)12-4-6-17-21(12)3/h4,6,11,13H,5,7-8H2,1-3H3,(H,18,19,20)
InChIKeyZCDGGQCQRQBMFM-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.30
Rot. Bonds3

About 5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine

5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine (PubChem CID 128565528) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine
PubChem CID128565528
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine
SMILESCc1nc(C)c(F)c(NC2CCOC(c3ccnn3C)C2)n1
InChIInChI=1S/C15H20FN5O/c1-9-14(16)15(19-10(2)18-9)20-11-5-7-22-13(8-11)12-4-6-17-21(12)3/h4,6,11,13H,5,7-8H2,1-3H3,(H,18,19,20)
InChIKeyZCDGGQCQRQBMFM-UHFFFAOYSA-N
XLogP2.30
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine (CID 128565528) is 5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine is Cc1nc(C)c(F)c(NC2CCOC(c3ccnn3C)C2)n1.
What is the InChIKey of 5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine?
The InChIKey is ZCDGGQCQRQBMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-9-14(16)15(19-10(2)18-9)20-11-5-7-22-13(8-11)12-4-6-17-21(12)3/h4,6,11,13H,5,7-8H2,1-3H3,(H,18,19,20).
What are the key properties of 5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine?
5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine has a molecular weight of 305.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,6-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 128565528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).