3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile

C11H17N5 — CID 80811502

IUPAC3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
SMILESCCNc1cc(N(C)CC(C)C#N)ncn1
InChIInChI=1S/C11H17N5/c1-4-13-10-5-11(15-8-14-10)16(3)7-9(2)6-12/h5,8-9H,4,7H2,1-3H3,(H,13,14,15)
InChIKeyIDEJQQSGARVBES-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.50
Rot. Bonds5

About 3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile

3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile (PubChem CID 80811502) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
PubChem CID80811502
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
SMILESCCNc1cc(N(C)CC(C)C#N)ncn1
InChIInChI=1S/C11H17N5/c1-4-13-10-5-11(15-8-14-10)16(3)7-9(2)6-12/h5,8-9H,4,7H2,1-3H3,(H,13,14,15)
InChIKeyIDEJQQSGARVBES-UHFFFAOYSA-N
XLogP1.50
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80810451
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962023
2-[cyanomethyl-[6-(ethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 80753559
5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol
CID 107207483
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810135
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 80964711
2-methyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80809902
4-N-butan-2-yl-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80782465
4-N-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80774806
2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80811197
4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115265721
3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 115898860

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile (CID 80811502) is 3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile is CCNc1cc(N(C)CC(C)C#N)ncn1.
What is the InChIKey of 3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile?
The InChIKey is IDEJQQSGARVBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-13-10-5-11(15-8-14-10)16(3)7-9(2)6-12/h5,8-9H,4,7H2,1-3H3,(H,13,14,15).
What are the key properties of 3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile?
3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile has a molecular weight of 219.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 80811502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).