6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine

C16H22N4 — CID 80807254

IUPAC6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
SMILESCCCc1ccccc1Nc1ncnc(NCC)c1C
InChIInChI=1S/C16H22N4/c1-4-8-13-9-6-7-10-14(13)20-16-12(3)15(17-5-2)18-11-19-16/h6-7,9-11H,4-5,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyJXLLVLOUKJPVSL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.91
Rot. Bonds6

About 6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine (PubChem CID 80807254) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
PubChem CID80807254
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
SMILESCCCc1ccccc1Nc1ncnc(NCC)c1C
InChIInChI=1S/C16H22N4/c1-4-8-13-9-6-7-10-14(13)20-16-12(3)15(17-5-2)18-11-19-16/h6-7,9-11H,4-5,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyJXLLVLOUKJPVSL-UHFFFAOYSA-N
XLogP3.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine (CID 80807254) is 6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine is CCCc1ccccc1Nc1ncnc(NCC)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine?
The InChIKey is JXLLVLOUKJPVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-8-13-9-6-7-10-14(13)20-16-12(3)15(17-5-2)18-11-19-16/h6-7,9-11H,4-5,8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80807254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).