[3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol

C16H20N4O2 — CID 133399032

IUPAC[3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol
SMILESCCc1cc(NCC2(CO)COC2)nc(-c2ccncc2)n1
InChIInChI=1S/C16H20N4O2/c1-2-13-7-14(18-8-16(9-21)10-22-11-16)20-15(19-13)12-3-5-17-6-4-12/h3-7,21H,2,8-11H2,1H3,(H,18,19,20)
InChIKeyVFCUARDEDAKIED-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.52
Rot. Bonds6

About [3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol

[3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol (PubChem CID 133399032) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol
PubChem CID133399032
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol
SMILESCCc1cc(NCC2(CO)COC2)nc(-c2ccncc2)n1
InChIInChI=1S/C16H20N4O2/c1-2-13-7-14(18-8-16(9-21)10-22-11-16)20-15(19-13)12-3-5-17-6-4-12/h3-7,21H,2,8-11H2,1H3,(H,18,19,20)
InChIKeyVFCUARDEDAKIED-UHFFFAOYSA-N
XLogP1.52
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol (CID 133399032) is [3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol is CCc1cc(NCC2(CO)COC2)nc(-c2ccncc2)n1.
What is the InChIKey of [3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol?
The InChIKey is VFCUARDEDAKIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-13-7-14(18-8-16(9-21)10-22-11-16)20-15(19-13)12-3-5-17-6-4-12/h3-7,21H,2,8-11H2,1H3,(H,18,19,20).
What are the key properties of [3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol?
[3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol has a molecular weight of 300.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 133399032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).