2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine

C17H24N4 — CID 80940320

IUPAC2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NC(C)CCc2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-4-15-20-16(18-3)12-17(21-15)19-13(2)10-11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyAJNURFDQVZHTGA-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.51
Rot. Bonds7

About 2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine

2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80940320) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine
PubChem CID80940320
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NC(C)CCc2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-4-15-20-16(18-3)12-17(21-15)19-13(2)10-11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyAJNURFDQVZHTGA-UHFFFAOYSA-N
XLogP3.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine
CID 80811958
6-ethyl-N-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 62190210
2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80934571
3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol
CID 83180465
N-(4-phenylbutan-2-yl)quinoxalin-2-amine
CID 60716412
6-hydrazinyl-N-(4-phenylbutan-2-yl)pyridin-2-amine
CID 80903512
2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80933955
2-ethyl-6-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80940178
6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
CID 174933873
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 113496687
2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028873
2-ethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80933934

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine (CID 80940320) is 2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine is CCc1nc(NC)cc(NC(C)CCc2ccccc2)n1.
What is the InChIKey of 2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is AJNURFDQVZHTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-15-20-16(18-3)12-17(21-15)19-13(2)10-11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine?
2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80940320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).