6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile

C13H18N4O — CID 136582039

IUPAC6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N2CC(C)(C)OC[C@@H]2C)n1
InChIInChI=1S/C13H18N4O/c1-9-5-11(6-14)16-12(15-9)17-8-13(3,4)18-7-10(17)2/h5,10H,7-8H2,1-4H3/t10-/m0/s1
InChIKeySACVMVGUCSDWJF-JTQLQIEISA-N
MW246.31 g/mol
LogP1.66
Rot. Bonds1

About 6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile

6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile (PubChem CID 136582039) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile
PubChem CID136582039
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N2CC(C)(C)OC[C@@H]2C)n1
InChIInChI=1S/C13H18N4O/c1-9-5-11(6-14)16-12(15-9)17-8-13(3,4)18-7-10(17)2/h5,10H,7-8H2,1-4H3/t10-/m0/s1
InChIKeySACVMVGUCSDWJF-JTQLQIEISA-N
XLogP1.66
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile (CID 136582039) is 6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(N2CC(C)(C)OC[C@@H]2C)n1.
What is the InChIKey of 6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile?
The InChIKey is SACVMVGUCSDWJF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-5-11(6-14)16-12(15-9)17-8-13(3,4)18-7-10(17)2/h5,10H,7-8H2,1-4H3/t10-/m0/s1.
What are the key properties of 6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile?
6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(5S)-2,2,5-trimethylmorpholin-4-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 136582039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).