2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile

C11H14N4O — CID 107543862

IUPAC2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile
SMILESCC1(C)COCCN1c1nccc(C#N)n1
InChIInChI=1S/C11H14N4O/c1-11(2)8-16-6-5-15(11)10-13-4-3-9(7-12)14-10/h3-4H,5-6,8H2,1-2H3
InChIKeyHHMFUSSEBMZQRE-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.96
Rot. Bonds1

About 2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile

2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile (PubChem CID 107543862) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile
PubChem CID107543862
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile
SMILESCC1(C)COCCN1c1nccc(C#N)n1
InChIInChI=1S/C11H14N4O/c1-11(2)8-16-6-5-15(11)10-13-4-3-9(7-12)14-10/h3-4H,5-6,8H2,1-2H3
InChIKeyHHMFUSSEBMZQRE-UHFFFAOYSA-N
XLogP0.96
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107544509
2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107544517
4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid
CID 107543044
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile
CID 145426910
2-(3,3-diethylpyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107544838
2-(2-ethyl-1,4-oxazepan-4-yl)pyrimidine-4-carbonitrile
CID 114218412
5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile
CID 61429731
2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107545460
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 171995820
1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
CID 142475916
2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552490

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile (CID 107543862) is 2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile is CC1(C)COCCN1c1nccc(C#N)n1.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile?
The InChIKey is HHMFUSSEBMZQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-11(2)8-16-6-5-15(11)10-13-4-3-9(7-12)14-10/h3-4H,5-6,8H2,1-2H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile?
2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).