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

C13H24N4 — CID 80769783

IUPAC6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(CC)CC)c1CC
InChIInChI=1S/C13H24N4/c1-5-10(6-2)17-13-11(7-3)12(14-8-4)15-9-16-13/h9-10H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyWOMIQQHUCNIYAE-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.07
Rot. Bonds7

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

6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine (PubChem CID 80769783) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
PubChem CID80769783
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(CC)CC)c1CC
InChIInChI=1S/C13H24N4/c1-5-10(6-2)17-13-11(7-3)12(14-8-4)15-9-16-13/h9-10H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyWOMIQQHUCNIYAE-UHFFFAOYSA-N
XLogP3.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine
CID 80818386
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842162
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80782621
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
6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80818385
6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800701
4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80841124
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074
6-N,5-diethyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine
CID 80848453
6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine
CID 63996761
6-N-ethyl-4-N-hexan-3-yl-5-nitropyrimidine-4,6-diamine
CID 80817413

Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine (CID 80769783) is 6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine is CCNc1ncnc(NC(CC)CC)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The InChIKey is WOMIQQHUCNIYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-10(6-2)17-13-11(7-3)12(14-8-4)15-9-16-13/h9-10H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.07, 7 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-pentan-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80769783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).