6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine

C14H26N4 — CID 80818386

IUPAC6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine
SMILESCCCC(CC)Nc1ncnc(NCC)c1CC
InChIInChI=1S/C14H26N4/c1-5-9-11(6-2)18-14-12(7-3)13(15-8-4)16-10-17-14/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyIPPFPPTYEBFOIE-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.46
Rot. Bonds8

About 6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine

6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine (PubChem CID 80818386) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine
PubChem CID80818386
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine
SMILESCCCC(CC)Nc1ncnc(NCC)c1CC
InChIInChI=1S/C14H26N4/c1-5-9-11(6-2)18-14-12(7-3)13(15-8-4)16-10-17-14/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyIPPFPPTYEBFOIE-UHFFFAOYSA-N
XLogP3.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80769783
6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80818385
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842162
6-N-ethyl-4-N-hexan-3-yl-5-nitropyrimidine-4,6-diamine
CID 80817413
4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80821693
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80782621
6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80982661
4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80841124
6-N,5-diethyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-4,6-diamine
CID 102908943
4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80844938
N-hexan-3-yl-7H-purin-6-amine
CID 62045757
6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406

Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine (CID 80818386) is 6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine is CCCC(CC)Nc1ncnc(NCC)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine?
The InChIKey is IPPFPPTYEBFOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-9-11(6-2)18-14-12(7-3)13(15-8-4)16-10-17-14/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80818386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).