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

C15H21N5O2 — CID 128972109

IUPAC6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine
SMILESCCOc1cc(N[C@H]2CCCO[C@@H]2c2nccn2C)ncn1
InChIInChI=1S/C15H21N5O2/c1-3-21-13-9-12(17-10-18-13)19-11-5-4-8-22-14(11)15-16-6-7-20(15)2/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,17,18,19)/t11-,14-/m0/s1
InChIKeyDIVJSXVJJYWHRK-FZMZJTMJSA-N
MW303.37 g/mol
LogP1.94
Rot. Bonds5

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

6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine (PubChem CID 128972109) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine
PubChem CID128972109
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine
SMILESCCOc1cc(N[C@H]2CCCO[C@@H]2c2nccn2C)ncn1
InChIInChI=1S/C15H21N5O2/c1-3-21-13-9-12(17-10-18-13)19-11-5-4-8-22-14(11)15-16-6-7-20(15)2/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,17,18,19)/t11-,14-/m0/s1
InChIKeyDIVJSXVJJYWHRK-FZMZJTMJSA-N
XLogP1.94
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine (CID 128972109) is 6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine is CCOc1cc(N[C@H]2CCCO[C@@H]2c2nccn2C)ncn1.
What is the InChIKey of 6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine?
The InChIKey is DIVJSXVJJYWHRK-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-21-13-9-12(17-10-18-13)19-11-5-4-8-22-14(11)15-16-6-7-20(15)2/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,17,18,19)/t11-,14-/m0/s1.
What are the key properties of 6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine?
6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 128972109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).