[4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol

C15H25N3O2 — CID 50982053

IUPAC[4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol
SMILESCCc1cnc(C)nc1N(C)CC1(CO)CCOCC1
InChIInChI=1S/C15H25N3O2/c1-4-13-9-16-12(2)17-14(13)18(3)10-15(11-19)5-7-20-8-6-15/h9,19H,4-8,10-11H2,1-3H3
InChIKeyFQTVKBQYUGJAHO-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.57
Rot. Bonds5

About [4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol

[4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol (PubChem CID 50982053) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol
PubChem CID50982053
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol
SMILESCCc1cnc(C)nc1N(C)CC1(CO)CCOCC1
InChIInChI=1S/C15H25N3O2/c1-4-13-9-16-12(2)17-14(13)18(3)10-15(11-19)5-7-20-8-6-15/h9,19H,4-8,10-11H2,1-3H3
InChIKeyFQTVKBQYUGJAHO-UHFFFAOYSA-N
XLogP1.57
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol (CID 50982053) is [4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol is CCc1cnc(C)nc1N(C)CC1(CO)CCOCC1.
What is the InChIKey of [4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol?
The InChIKey is FQTVKBQYUGJAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-13-9-16-12(2)17-14(13)18(3)10-15(11-19)5-7-20-8-6-15/h9,19H,4-8,10-11H2,1-3H3.
What are the key properties of [4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol?
[4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol has a molecular weight of 279.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-ethyl-2-methylpyrimidin-4-yl)-methylamino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 50982053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).