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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Related Compounds

6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine
CID 128977675
4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine
CID 154761150
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 128992705
6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine
CID 66328400
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone
CID 136583909
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine
CID 154738050
(2S,3S)-2-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine
CID 128991372
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 129006308
(2S,3S)-N-(1-benzothiophen-2-ylmethyl)-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128971716
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 154794373
(2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide
CID 167747051
6-ethoxy-N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66330184

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).