4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile

C14H21N5O — CID 80991624

IUPAC4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile
SMILESCCNc1nc(CC)nc(N2CCOC(C#N)C2)c1C
InChIInChI=1S/C14H21N5O/c1-4-12-17-13(16-5-2)10(3)14(18-12)19-6-7-20-11(8-15)9-19/h11H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyMBQZQNNXUOINKY-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.51
Rot. Bonds4

About 4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile

4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile (PubChem CID 80991624) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile
PubChem CID80991624
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile
SMILESCCNc1nc(CC)nc(N2CCOC(C#N)C2)c1C
InChIInChI=1S/C14H21N5O/c1-4-12-17-13(16-5-2)10(3)14(18-12)19-6-7-20-11(8-15)9-19/h11H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyMBQZQNNXUOINKY-UHFFFAOYSA-N
XLogP1.51
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,6-dimethylmorpholin-4-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80982249
4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile
CID 80849282
1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683955
N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
CID 80985308
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile
CID 80977699
6-N,2-diethyl-5-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80992667
4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile
CID 80837574
N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80984912
6-(2,4-dimethylpiperidin-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80982600
4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile
CID 103880094
1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 81006896
1-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683989

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile?
The IUPAC name of 4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile (CID 80991624) is 4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile is CCNc1nc(CC)nc(N2CCOC(C#N)C2)c1C.
What is the InChIKey of 4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile?
The InChIKey is MBQZQNNXUOINKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-12-17-13(16-5-2)10(3)14(18-12)19-6-7-20-11(8-15)9-19/h11H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of 4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile?
4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile has a molecular weight of 275.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile is sourced from PubChem (CID 80991624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).