4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile

C13H14N6 — CID 914535

IUPAC4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile
SMILESCC(C)Nc1nc(C#N)nc(Nc2ccccc2)n1
InChIInChI=1S/C13H14N6/c1-9(2)15-12-17-11(8-14)18-13(19-12)16-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H2,15,16,17,18,19)
InChIKeySBCCNMDXOPPQRI-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.31
Rot. Bonds4

About 4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile

4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile (PubChem CID 914535) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile
PubChem CID914535
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile
SMILESCC(C)Nc1nc(C#N)nc(Nc2ccccc2)n1
InChIInChI=1S/C13H14N6/c1-9(2)15-12-17-11(8-14)18-13(19-12)16-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H2,15,16,17,18,19)
InChIKeySBCCNMDXOPPQRI-UHFFFAOYSA-N
XLogP2.31
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile (CID 914535) is 4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile is CC(C)Nc1nc(C#N)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile?
The InChIKey is SBCCNMDXOPPQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-9(2)15-12-17-11(8-14)18-13(19-12)16-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile?
4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile has a molecular weight of 254.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(propan-2-ylamino)-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 914535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).