6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine

C16H23N5O2 — CID 154753517

IUPAC6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine
SMILESCCOc1cc(N[C@H]2CCCO[C@@H]2c2cnn(CC)c2)ncn1
InChIInChI=1S/C16H23N5O2/c1-3-21-10-12(9-19-21)16-13(6-5-7-23-16)20-14-8-15(22-4-2)18-11-17-14/h8-11,13,16H,3-7H2,1-2H3,(H,17,18,20)/t13-,16+/m0/s1
InChIKeyLKPLAUZJZIAXNQ-XJKSGUPXSA-N
MW317.39 g/mol
LogP2.42
Rot. Bonds6

About 6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine

6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine (PubChem CID 154753517) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine
PubChem CID154753517
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine
SMILESCCOc1cc(N[C@H]2CCCO[C@@H]2c2cnn(CC)c2)ncn1
InChIInChI=1S/C16H23N5O2/c1-3-21-10-12(9-19-21)16-13(6-5-7-23-16)20-14-8-15(22-4-2)18-11-17-14/h8-11,13,16H,3-7H2,1-2H3,(H,17,18,20)/t13-,16+/m0/s1
InChIKeyLKPLAUZJZIAXNQ-XJKSGUPXSA-N
XLogP2.42
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine (CID 154753517) is 6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine is CCOc1cc(N[C@H]2CCCO[C@@H]2c2cnn(CC)c2)ncn1.
What is the InChIKey of 6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine?
The InChIKey is LKPLAUZJZIAXNQ-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-21-10-12(9-19-21)16-13(6-5-7-23-16)20-14-8-15(22-4-2)18-11-17-14/h8-11,13,16H,3-7H2,1-2H3,(H,17,18,20)/t13-,16+/m0/s1.
What are the key properties of 6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine?
6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine has a molecular weight of 317.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 154753517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).