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

C14H23N5 — CID 80812373

IUPAC3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
SMILESCNc1nc(C)nc(N(CCC#N)CC(C)C)c1C
InChIInChI=1S/C14H23N5/c1-10(2)9-19(8-6-7-15)14-11(3)13(16-5)17-12(4)18-14/h10H,6,8-9H2,1-5H3,(H,16,17,18)
InChIKeyOYYWIHUQUNUOLV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.51
Rot. Bonds6

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

3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile (PubChem CID 80812373) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
PubChem CID80812373
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
SMILESCNc1nc(C)nc(N(CCC#N)CC(C)C)c1C
InChIInChI=1S/C14H23N5/c1-10(2)9-19(8-6-7-15)14-11(3)13(16-5)17-12(4)18-14/h10H,6,8-9H2,1-5H3,(H,16,17,18)
InChIKeyOYYWIHUQUNUOLV-UHFFFAOYSA-N
XLogP2.51
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80983753
4-N-ethyl-6-N,2,5-trimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774156
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80820561
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80788923
3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812628
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774157
3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile
CID 80814264
4-N-ethyl-4-N-(2-methoxyethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80808572
2-ethyl-4-N-(2-methoxyethyl)-6-N,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80987716
3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile
CID 102761879
4-N-(2-methoxyethyl)-2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80785196
3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812725

Frequently Asked Questions

What is the IUPAC name of 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile (CID 80812373) is 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile is CNc1nc(C)nc(N(CCC#N)CC(C)C)c1C.
What is the InChIKey of 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile?
The InChIKey is OYYWIHUQUNUOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10(2)9-19(8-6-7-15)14-11(3)13(16-5)17-12(4)18-14/h10H,6,8-9H2,1-5H3,(H,16,17,18).
What are the key properties of 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile?
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile has a molecular weight of 261.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 80812373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).