2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile

C15H17N5 — CID 80852105

IUPAC2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile
SMILESCCNc1nc(C)cc(N(C)c2ccccc2C#N)n1
InChIInChI=1S/C15H17N5/c1-4-17-15-18-11(2)9-14(19-15)20(3)13-8-6-5-7-12(13)10-16/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyDLHLUNWVYCJFAH-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.86
Rot. Bonds4

About 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile

2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile (PubChem CID 80852105) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile.

Molecular Properties

Compound Name2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile
PubChem CID80852105
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile
SMILESCCNc1nc(C)cc(N(C)c2ccccc2C#N)n1
InChIInChI=1S/C15H17N5/c1-4-17-15-18-11(2)9-14(19-15)20(3)13-8-6-5-7-12(13)10-16/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyDLHLUNWVYCJFAH-UHFFFAOYSA-N
XLogP2.86
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile?
The IUPAC name of 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile (CID 80852105) is 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile.
What is the SMILES notation for 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile?
The canonical SMILES for 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile is CCNc1nc(C)cc(N(C)c2ccccc2C#N)n1.
What is the InChIKey of 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile?
The InChIKey is DLHLUNWVYCJFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-4-17-15-18-11(2)9-14(19-15)20(3)13-8-6-5-7-12(13)10-16/h5-9H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile?
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile is sourced from PubChem (CID 80852105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).