6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile

C15H16N4O — CID 115142939

IUPAC6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile
SMILESCOc1cc(C)cc(C)c1CNc1cc(C#N)ncn1
InChIInChI=1S/C15H16N4O/c1-10-4-11(2)13(14(5-10)20-3)8-17-15-6-12(7-16)18-9-19-15/h4-6,9H,8H2,1-3H3,(H,17,18,19)
InChIKeyIJAZTOSCUKDDSW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.59
Rot. Bonds4

About 6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile

6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile (PubChem CID 115142939) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile
PubChem CID115142939
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile
SMILESCOc1cc(C)cc(C)c1CNc1cc(C#N)ncn1
InChIInChI=1S/C15H16N4O/c1-10-4-11(2)13(14(5-10)20-3)8-17-15-6-12(7-16)18-9-19-15/h4-6,9H,8H2,1-3H3,(H,17,18,19)
InChIKeyIJAZTOSCUKDDSW-UHFFFAOYSA-N
XLogP2.59
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile (CID 115142939) is 6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile is COc1cc(C)cc(C)c1CNc1cc(C#N)ncn1.
What is the InChIKey of 6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile?
The InChIKey is IJAZTOSCUKDDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-4-11(2)13(14(5-10)20-3)8-17-15-6-12(7-16)18-9-19-15/h4-6,9H,8H2,1-3H3,(H,17,18,19).
What are the key properties of 6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile?
6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115142939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).