3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile

C16H24N8O — CID 19141538

IUPAC3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
SMILESN#CCCN(CCC#N)c1ncnc(NCCN2CCOCC2)c1N
InChIInChI=1S/C16H24N8O/c17-3-1-6-24(7-2-4-18)16-14(19)15(21-13-22-16)20-5-8-23-9-11-25-12-10-23/h13H,1-2,5-12,19H2,(H,20,21,22)
InChIKeyHIHNFCPIDDQJCV-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.44
Rot. Bonds9

About 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile

3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile (PubChem CID 19141538) has the molecular formula C16H24N8O and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
PubChem CID19141538
Molecular FormulaC16H24N8O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC Name3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
SMILESN#CCCN(CCC#N)c1ncnc(NCCN2CCOCC2)c1N
InChIInChI=1S/C16H24N8O/c17-3-1-6-24(7-2-4-18)16-14(19)15(21-13-22-16)20-5-8-23-9-11-25-12-10-23/h13H,1-2,5-12,19H2,(H,20,21,22)
InChIKeyHIHNFCPIDDQJCV-UHFFFAOYSA-N
XLogP0.44
TPSA127.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile with MolForge

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Related Compounds

3-[[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141479
4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 19136362
6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19138308
3-[[5-amino-6-(benzylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19136157
4-N-(2-morpholin-4-ylethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154001
3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141537
4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541072
4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152522
4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640
6-N-(2-morpholin-4-ylethyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144827
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541759
6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542884

Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile?
The IUPAC name of 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile (CID 19141538) is 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile.
What is the SMILES notation for 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile?
The canonical SMILES for 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile is N#CCCN(CCC#N)c1ncnc(NCCN2CCOCC2)c1N.
What is the InChIKey of 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile?
The InChIKey is HIHNFCPIDDQJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8O/c17-3-1-6-24(7-2-4-18)16-14(19)15(21-13-22-16)20-5-8-23-9-11-25-12-10-23/h13H,1-2,5-12,19H2,(H,20,21,22).
What are the key properties of 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile?
3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile has a molecular weight of 344.42 g/mol, XLogP of 0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile is sourced from PubChem (CID 19141538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).