3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile

C15H25N5O — CID 80814264

IUPAC3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile
SMILESCCCNc1nc(C)nc(N(CCC#N)CCOC)c1C
InChIInChI=1S/C15H25N5O/c1-5-8-17-14-12(2)15(19-13(3)18-14)20(9-6-7-16)10-11-21-4/h5-6,8-11H2,1-4H3,(H,17,18,19)
InChIKeyBLDAYVRXIAIWKX-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.28
Rot. Bonds9

About 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile

3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile (PubChem CID 80814264) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile
PubChem CID80814264
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile
SMILESCCCNc1nc(C)nc(N(CCC#N)CCOC)c1C
InChIInChI=1S/C15H25N5O/c1-5-8-17-14-12(2)15(19-13(3)18-14)20(9-6-7-16)10-11-21-4/h5-6,8-11H2,1-4H3,(H,17,18,19)
InChIKeyBLDAYVRXIAIWKX-UHFFFAOYSA-N
XLogP2.28
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80785196
4-N-ethyl-4-N-(2-methoxyethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80808572
3-[2-methoxyethyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80829439
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80984282
4-N,4-N,2,5-tetramethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766122
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812373
3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80811510
6-chloro-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 63728451
3-[(2-amino-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80830637
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80914663
4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80993958
3-[[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141479

Frequently Asked Questions

What is the IUPAC name of 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile (CID 80814264) is 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile is CCCNc1nc(C)nc(N(CCC#N)CCOC)c1C.
What is the InChIKey of 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is BLDAYVRXIAIWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-5-8-17-14-12(2)15(19-13(3)18-14)20(9-6-7-16)10-11-21-4/h5-6,8-11H2,1-4H3,(H,17,18,19).
What are the key properties of 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile?
3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 291.40 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 80814264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).