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

C14H16N6 — CID 80823397

IUPAC4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
SMILESCCNc1cc(N(C)c2ccc(C#N)cc2)nc(N)n1
InChIInChI=1S/C14H16N6/c1-3-17-12-8-13(19-14(16)18-12)20(2)11-6-4-10(9-15)5-7-11/h4-8H,3H2,1-2H3,(H3,16,17,18,19)
InChIKeyCJEHVBVXIZDBEN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.13
Rot. Bonds4

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

4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile (PubChem CID 80823397) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile.

Molecular Properties

Compound Name4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
PubChem CID80823397
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
SMILESCCNc1cc(N(C)c2ccc(C#N)cc2)nc(N)n1
InChIInChI=1S/C14H16N6/c1-3-17-12-8-13(19-14(16)18-12)20(2)11-6-4-10(9-15)5-7-11/h4-8H,3H2,1-2H3,(H3,16,17,18,19)
InChIKeyCJEHVBVXIZDBEN-UHFFFAOYSA-N
XLogP2.13
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-methylamino]benzonitrile
CID 80808574
6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 80767341
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 80823224
6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
CID 80847003
4-[methyl-[6-(propylamino)-2-pyridinyl]amino]benzonitrile
CID 80823294
4-[(5-amino-6-propoxy-2-pyridinyl)-methylamino]benzonitrile
CID 62981083
4-[(6-aminoquinolin-2-yl)-methylamino]benzonitrile
CID 62981426
2-[[6-(4-bromo-N-methylanilino)-2-methylpyrimidin-4-yl]amino]acetonitrile
CID 115266791
6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4,6-triamine
CID 80820365
4-[[2-methyl-6-(N-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112877216
6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine
CID 80794370

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile?
The IUPAC name of 4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile (CID 80823397) is 4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile.
What is the SMILES notation for 4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile?
The canonical SMILES for 4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile is CCNc1cc(N(C)c2ccc(C#N)cc2)nc(N)n1.
What is the InChIKey of 4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile?
The InChIKey is CJEHVBVXIZDBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-3-17-12-8-13(19-14(16)18-12)20(2)11-6-4-10(9-15)5-7-11/h4-8H,3H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile?
4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile is sourced from PubChem (CID 80823397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).