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

C17H24N4 — CID 80976304

IUPAC4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(N(CC)c2ccccc2C)n1
InChIInChI=1S/C17H24N4/c1-6-15-19-16(18-5)13(4)17(20-15)21(7-2)14-11-9-8-10-12(14)3/h8-11H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyXDAQUVCIIVEQIK-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.86
Rot. Bonds5

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

4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 80976304) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
PubChem CID80976304
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(N(CC)c2ccccc2C)n1
InChIInChI=1S/C17H24N4/c1-6-15-19-16(18-5)13(4)17(20-15)21(7-2)14-11-9-8-10-12(14)3/h8-11H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyXDAQUVCIIVEQIK-UHFFFAOYSA-N
XLogP3.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 80973600
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 80757142
4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80985864
4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80977275
2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80753509
2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80977184
2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80987787
2-ethyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80993377
2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80970250
6-(2,2-dimethylhydrazinyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 83026946
2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993390
2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 63548184

Frequently Asked Questions

What is the IUPAC name of 4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine (CID 80976304) is 4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(N(CC)c2ccccc2C)n1.
What is the InChIKey of 4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is XDAQUVCIIVEQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-6-15-19-16(18-5)13(4)17(20-15)21(7-2)14-11-9-8-10-12(14)3/h8-11H,6-7H2,1-5H3,(H,18,19,20).
What are the key properties of 4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80976304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).