4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile

C15H23N5O — CID 80837574

IUPAC4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile
SMILESCCCNc1ncnc(N2CCOC(C#N)C2)c1CCC
InChIInChI=1S/C15H23N5O/c1-3-5-13-14(17-6-4-2)18-11-19-15(13)20-7-8-21-12(9-16)10-20/h11-12H,3-8,10H2,1-2H3,(H,17,18,19)
InChIKeyWHXWSLZSVGUNTJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.98
Rot. Bonds6

About 4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile

4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile (PubChem CID 80837574) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile
PubChem CID80837574
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile
SMILESCCCNc1ncnc(N2CCOC(C#N)C2)c1CCC
InChIInChI=1S/C15H23N5O/c1-3-5-13-14(17-6-4-2)18-11-19-15(13)20-7-8-21-12(9-16)10-20/h11-12H,3-8,10H2,1-2H3,(H,17,18,19)
InChIKeyWHXWSLZSVGUNTJ-UHFFFAOYSA-N
XLogP1.98
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile
CID 80849282
5-ethyl-6-(2-ethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80786757
4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971251
4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile
CID 103880094
[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756838
6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80855379
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674538
4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile
CID 80991624
6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80763913
4-quinazolin-4-ylmorpholine-2-carbonitrile
CID 78946478
6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80797402
6-(2-methylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80766937

Frequently Asked Questions

What is the IUPAC name of 4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile?
The IUPAC name of 4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile (CID 80837574) is 4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile is CCCNc1ncnc(N2CCOC(C#N)C2)c1CCC.
What is the InChIKey of 4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile?
The InChIKey is WHXWSLZSVGUNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-5-13-14(17-6-4-2)18-11-19-15(13)20-7-8-21-12(9-16)10-20/h11-12H,3-8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile?
4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile is sourced from PubChem (CID 80837574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).