3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile

C16H27N5 — CID 80983753

IUPAC3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
SMILESCNc1nc(C(C)C)nc(N(CCC#N)CC(C)C)c1C
InChIInChI=1S/C16H27N5/c1-11(2)10-21(9-7-8-17)16-13(5)15(18-6)19-14(20-16)12(3)4/h11-12H,7,9-10H2,1-6H3,(H,18,19,20)
InChIKeyKUZPFQJLRSCXHM-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.33
Rot. Bonds7

About 3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile

3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile (PubChem CID 80983753) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
PubChem CID80983753
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
SMILESCNc1nc(C(C)C)nc(N(CCC#N)CC(C)C)c1C
InChIInChI=1S/C16H27N5/c1-11(2)10-21(9-7-8-17)16-13(5)15(18-6)19-14(20-16)12(3)4/h11-12H,7,9-10H2,1-6H3,(H,18,19,20)
InChIKeyKUZPFQJLRSCXHM-UHFFFAOYSA-N
XLogP3.33
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812373
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102998896
3-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-ethylamino]propanenitrile
CID 80971702
1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80982737
2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol
CID 80980902
4-N-ethyl-6-N,2,5-trimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774156
3-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanenitrile
CID 65272434
3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812628
2-[ethyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]acetamide
CID 103104381
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
3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812725

Frequently Asked Questions

What is the IUPAC name of 3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile (CID 80983753) is 3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile is CNc1nc(C(C)C)nc(N(CCC#N)CC(C)C)c1C.
What is the InChIKey of 3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile?
The InChIKey is KUZPFQJLRSCXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-11(2)10-21(9-7-8-17)16-13(5)15(18-6)19-14(20-16)12(3)4/h11-12H,7,9-10H2,1-6H3,(H,18,19,20).
What are the key properties of 3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile?
3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile has a molecular weight of 289.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 80983753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).