[4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol

C15H26N4O2 — CID 114782647

IUPAC[4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCc1nc(NC)c(C)c(N2CC(CO)OC(C)(C)C2)n1
InChIInChI=1S/C15H26N4O2/c1-6-12-17-13(16-5)10(2)14(18-12)19-7-11(8-20)21-15(3,4)9-19/h11,20H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyMDFHLUFJMYESIN-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.37
Rot. Bonds4

About [4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114782647) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is [4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114782647
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name[4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCc1nc(NC)c(C)c(N2CC(CO)OC(C)(C)C2)n1
InChIInChI=1S/C15H26N4O2/c1-6-12-17-13(16-5)10(2)14(18-12)19-7-11(8-20)21-15(3,4)9-19/h11,20H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyMDFHLUFJMYESIN-UHFFFAOYSA-N
XLogP1.37
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114782647) is [4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol is CCc1nc(NC)c(C)c(N2CC(CO)OC(C)(C)C2)n1.
What is the InChIKey of [4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is MDFHLUFJMYESIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-12-17-13(16-5)10(2)14(18-12)19-7-11(8-20)21-15(3,4)9-19/h11,20H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of [4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 294.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114782647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).