6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine

C15H28N4 — CID 80982661

IUPAC6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
SMILESCCCC(CC)Nc1nc(CC)nc(NCC)c1C
InChIInChI=1S/C15H28N4/c1-6-10-12(7-2)17-15-11(5)14(16-9-4)18-13(8-3)19-15/h12H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyHXXAHQGYTOHSOO-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.77
Rot. Bonds8

About 6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine

6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine (PubChem CID 80982661) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
PubChem CID80982661
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
SMILESCCCC(CC)Nc1nc(CC)nc(NCC)c1C
InChIInChI=1S/C15H28N4/c1-6-10-12(7-2)17-15-11(5)14(16-9-4)18-13(8-3)19-15/h12H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyHXXAHQGYTOHSOO-UHFFFAOYSA-N
XLogP3.77
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80818385
6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine
CID 80987059
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propan-1-ol
CID 80993320
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984500
4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol
CID 80992163
6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine
CID 80818386
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
2-tert-butyl-N-hexan-3-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006064
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80987958
6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327660
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine (CID 80982661) is 6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine is CCCC(CC)Nc1nc(CC)nc(NCC)c1C.
What is the InChIKey of 6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine?
The InChIKey is HXXAHQGYTOHSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-10-12(7-2)17-15-11(5)14(16-9-4)18-13(8-3)19-15/h12H,6-10H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).