5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C15H28N4 — CID 80810727

IUPAC5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCCCCCN(c1ncnc(NC)c1CC)C(C)C
InChIInChI=1S/C15H28N4/c1-6-8-9-10-19(12(3)4)15-13(7-2)14(16-5)17-11-18-15/h11-12H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyGAYOQKNVXMMMBF-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.49
Rot. Bonds8

About 5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine

5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80810727) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80810727
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCCCCCN(c1ncnc(NC)c1CC)C(C)C
InChIInChI=1S/C15H28N4/c1-6-8-9-10-19(12(3)4)15-13(7-2)14(16-5)17-11-18-15/h11-12H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyGAYOQKNVXMMMBF-UHFFFAOYSA-N
XLogP3.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-5-ethyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80827484
3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80788107
5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine
CID 80822887
3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 63729486
6-N-methyl-5-nitro-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80776075
4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 79918544
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-propylamino]-N-methylacetamide
CID 80806342
6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80780237
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80811308
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 80904395
4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine
CID 64587916

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 80810727) is 5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine is CCCCCN(c1ncnc(NC)c1CC)C(C)C.
What is the InChIKey of 5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is GAYOQKNVXMMMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-8-9-10-19(12(3)4)15-13(7-2)14(16-5)17-11-18-15/h11-12H,6-10H2,1-5H3,(H,16,17,18).
What are the key properties of 5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80810727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).