4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine

C15H21N5 — CID 19136767

IUPAC4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCN(CC)c1ncnc(Nc2ccccc2C)c1N
InChIInChI=1S/C15H21N5/c1-4-20(5-2)15-13(16)14(17-10-18-15)19-12-9-7-6-8-11(12)3/h6-10H,4-5,16H2,1-3H3,(H,17,18,19)
InChIKeyJGCGRFSHVMICBD-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.96
Rot. Bonds5

About 4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine

4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19136767) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID19136767
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCCN(CC)c1ncnc(Nc2ccccc2C)c1N
InChIInChI=1S/C15H21N5/c1-4-20(5-2)15-13(16)14(17-10-18-15)19-12-9-7-6-8-11(12)3/h6-10H,4-5,16H2,1-3H3,(H,17,18,19)
InChIKeyJGCGRFSHVMICBD-UHFFFAOYSA-N
XLogP2.96
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
CID 19141292
6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136733
methyl 2-[[5-amino-6-(diethylamino)pyrimidin-4-yl]amino]benzoate
CID 19136754
4-N,4-N-diethyl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19136861
4-N-(3,5-dimethylphenyl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22540987
4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144322
4-N,4-N,6-N-triethylpyrimidine-4,5,6-triamine
CID 19135168
ethyl 2-[[5-amino-6-(2-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 19147874
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147842
2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol
CID 19141107
6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136762
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140933

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine (CID 19136767) is 4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine is CCN(CC)c1ncnc(Nc2ccccc2C)c1N.
What is the InChIKey of 4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is JGCGRFSHVMICBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-20(5-2)15-13(16)14(17-10-18-15)19-12-9-7-6-8-11(12)3/h6-10H,4-5,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 271.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19136767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).