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

C16H22N4 — CID 80753509

IUPAC2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(N(CC)c2ccccc2C)n1
InChIInChI=1S/C16H22N4/c1-5-17-16-18-11-13(4)15(19-16)20(6-2)14-10-8-7-9-12(14)3/h7-11H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyGVKDRGHFHFGVGO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.68
Rot. Bonds5

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

2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 80753509) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
PubChem CID80753509
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(N(CC)c2ccccc2C)n1
InChIInChI=1S/C16H22N4/c1-5-17-16-18-11-13(4)15(19-16)20(6-2)14-10-8-7-9-12(14)3/h7-11H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyGVKDRGHFHFGVGO-UHFFFAOYSA-N
XLogP3.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817690
5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80757604
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 80826529
N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 80916335
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 80757142
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80809188
4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80754474
4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817689
2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80764683
2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80794156
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80849094

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine (CID 80753509) is 2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine is CCNc1ncc(C)c(N(CC)c2ccccc2C)n1.
What is the InChIKey of 2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is GVKDRGHFHFGVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-17-16-18-11-13(4)15(19-16)20(6-2)14-10-8-7-9-12(14)3/h7-11H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80753509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).