2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile

C16H19N5 — CID 107801932

IUPAC2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile
SMILESCc1cccc(Nc2nc(C(C)C)nc(N)c2C)c1C#N
InChIInChI=1S/C16H19N5/c1-9(2)15-20-14(18)11(4)16(21-15)19-13-7-5-6-10(3)12(13)8-17/h5-7,9H,1-4H3,(H3,18,19,20,21)
InChIKeyXSBPTAMCKNLZCS-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.41
Rot. Bonds3

About 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile

2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile (PubChem CID 107801932) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile
PubChem CID107801932
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile
SMILESCc1cccc(Nc2nc(C(C)C)nc(N)c2C)c1C#N
InChIInChI=1S/C16H19N5/c1-9(2)15-20-14(18)11(4)16(21-15)19-13-7-5-6-10(3)12(13)8-17/h5-7,9H,1-4H3,(H3,18,19,20,21)
InChIKeyXSBPTAMCKNLZCS-UHFFFAOYSA-N
XLogP3.41
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-fluorobenzonitrile
CID 80986631
5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976348
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 80981896
4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994250
2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107805421
4-N-(3,4-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80977168
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802103
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]benzonitrile
CID 80761209
2-[(6-amino-5-nitropyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107801897
5-methyl-2-propan-2-yl-4-N-(4-propylphenyl)pyrimidine-4,6-diamine
CID 80986116
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107802105
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107800146

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
The IUPAC name of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile (CID 107801932) is 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile is Cc1cccc(Nc2nc(C(C)C)nc(N)c2C)c1C#N.
What is the InChIKey of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
The InChIKey is XSBPTAMCKNLZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-9(2)15-20-14(18)11(4)16(21-15)19-13-7-5-6-10(3)12(13)8-17/h5-7,9H,1-4H3,(H3,18,19,20,21).
What are the key properties of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile?
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-6-methylbenzonitrile is sourced from PubChem (CID 107801932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).