6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine

C15H20FN5O — CID 129006905

IUPAC6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine
SMILESCCc1ncnc(N[C@H]2CCCO[C@@H]2c2cnn(C)c2)c1F
InChIInChI=1S/C15H20FN5O/c1-3-11-13(16)15(18-9-17-11)20-12-5-4-6-22-14(12)10-7-19-21(2)8-10/h7-9,12,14H,3-6H2,1-2H3,(H,17,18,20)/t12-,14+/m0/s1
InChIKeyLJEUUUAYEIZZPA-GXTWGEPZSA-N
MW305.36 g/mol
LogP2.24
Rot. Bonds4

About 6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine (PubChem CID 129006905) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine
PubChem CID129006905
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine
SMILESCCc1ncnc(N[C@H]2CCCO[C@@H]2c2cnn(C)c2)c1F
InChIInChI=1S/C15H20FN5O/c1-3-11-13(16)15(18-9-17-11)20-12-5-4-6-22-14(12)10-7-19-21(2)8-10/h7-9,12,14H,3-6H2,1-2H3,(H,17,18,20)/t12-,14+/m0/s1
InChIKeyLJEUUUAYEIZZPA-GXTWGEPZSA-N
XLogP2.24
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine (CID 129006905) is 6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine is CCc1ncnc(N[C@H]2CCCO[C@@H]2c2cnn(C)c2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine?
The InChIKey is LJEUUUAYEIZZPA-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-3-11-13(16)15(18-9-17-11)20-12-5-4-6-22-14(12)10-7-19-21(2)8-10/h7-9,12,14H,3-6H2,1-2H3,(H,17,18,20)/t12-,14+/m0/s1.
What are the key properties of 6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine has a molecular weight of 305.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 129006905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).