2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine

C15H28N4 — CID 106028873

IUPAC2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
SMILESCCCCC(CCC)Nc1cc(NC)nc(CC)n1
InChIInChI=1S/C15H28N4/c1-5-8-10-12(9-6-2)17-15-11-14(16-4)18-13(7-3)19-15/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyQBXFEBKZIGOSRA-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.85
Rot. Bonds9

About 2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine

2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine (PubChem CID 106028873) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
PubChem CID106028873
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
SMILESCCCCC(CCC)Nc1cc(NC)nc(CC)n1
InChIInChI=1S/C15H28N4/c1-5-8-10-12(9-6-2)17-15-11-14(16-4)18-13(7-3)19-15/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyQBXFEBKZIGOSRA-UHFFFAOYSA-N
XLogP3.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028697
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 113496687
4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine
CID 106028699
6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028897
2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950100
2-methyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 137000531
6-ethoxy-2-methyl-N-octan-4-ylpyrimidin-4-amine
CID 106026606
4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136731501
2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine
CID 80940320
2-ethyl-N-methyl-6-octan-2-yloxypyrimidin-4-amine
CID 80942122
2-ethyl-6-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80940178

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine (CID 106028873) is 2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine is CCCCC(CCC)Nc1cc(NC)nc(CC)n1.
What is the InChIKey of 2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine?
The InChIKey is QBXFEBKZIGOSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-8-10-12(9-6-2)17-15-11-14(16-4)18-13(7-3)19-15/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine?
2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.85, 9 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-octan-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 106028873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).