2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile

C15H17N5O — CID 112911497

IUPAC2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
SMILESCOCCNc1cc(C)nc(Nc2ccccc2C#N)n1
InChIInChI=1S/C15H17N5O/c1-11-9-14(17-7-8-21-2)20-15(18-11)19-13-6-4-3-5-12(13)10-16/h3-6,9H,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyGHLRQQABXJLGGX-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.46
Rot. Bonds6

About 2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile

2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile (PubChem CID 112911497) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
PubChem CID112911497
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
SMILESCOCCNc1cc(C)nc(Nc2ccccc2C#N)n1
InChIInChI=1S/C15H17N5O/c1-11-9-14(17-7-8-21-2)20-15(18-11)19-13-6-4-3-5-12(13)10-16/h3-6,9H,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyGHLRQQABXJLGGX-UHFFFAOYSA-N
XLogP2.46
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112932302
2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112943470
2-[[4-(tert-butylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112924739
2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112880366
2-[[2-(2-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930539
2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112927391
2-[[4-(2,6-diethylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112929134
2-[[6-methyl-2-(pentylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112925575
2-N-(2,4-difluorophenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911480
2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911473
2-N-(2,4-dichlorophenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911488
2-[[6-methyl-2-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112929004

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
The IUPAC name of 2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile (CID 112911497) is 2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
The canonical SMILES for 2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile is COCCNc1cc(C)nc(Nc2ccccc2C#N)n1.
What is the InChIKey of 2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
The InChIKey is GHLRQQABXJLGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-9-14(17-7-8-21-2)20-15(18-11)19-13-6-4-3-5-12(13)10-16/h3-6,9H,7-8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile?
2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile has a molecular weight of 283.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile is sourced from PubChem (CID 112911497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).