[4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol

C13H21N3O3 — CID 50969405

IUPAC[4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol
SMILESCOc1cc(N(C)CC2(CO)CCOCC2)ncn1
InChIInChI=1S/C13H21N3O3/c1-16(11-7-12(18-2)15-10-14-11)8-13(9-17)3-5-19-6-4-13/h7,10,17H,3-6,8-9H2,1-2H3
InChIKeyHVPVXLXURWYFFL-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.71
Rot. Bonds5

About [4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol

[4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol (PubChem CID 50969405) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol
PubChem CID50969405
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol
SMILESCOc1cc(N(C)CC2(CO)CCOCC2)ncn1
InChIInChI=1S/C13H21N3O3/c1-16(11-7-12(18-2)15-10-14-11)8-13(9-17)3-5-19-6-4-13/h7,10,17H,3-6,8-9H2,1-2H3
InChIKeyHVPVXLXURWYFFL-UHFFFAOYSA-N
XLogP0.71
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol (CID 50969405) is [4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol is COc1cc(N(C)CC2(CO)CCOCC2)ncn1.
What is the InChIKey of [4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol?
The InChIKey is HVPVXLXURWYFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-16(11-7-12(18-2)15-10-14-11)8-13(9-17)3-5-19-6-4-13/h7,10,17H,3-6,8-9H2,1-2H3.
What are the key properties of [4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol?
[4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol has a molecular weight of 267.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(6-methoxypyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 50969405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).