6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine

C13H24N4 — CID 80792480

IUPAC6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
SMILESCCCC(C)N(C)c1ncnc(NCC)c1C
InChIInChI=1S/C13H24N4/c1-6-8-10(3)17(5)13-11(4)12(14-7-2)15-9-16-13/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyONUPWJYBAXYOBN-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.84
Rot. Bonds6

About 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine (PubChem CID 80792480) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
PubChem CID80792480
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
SMILESCCCC(C)N(C)c1ncnc(NCC)c1C
InChIInChI=1S/C13H24N4/c1-6-8-10(3)17(5)13-11(4)12(14-7-2)15-9-16-13/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyONUPWJYBAXYOBN-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,5-dimethyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80792963
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80775365
6-hydrazinyl-N-methyl-N-pentan-2-yl-5-propylpyrimidin-4-amine
CID 80906528
4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819158
6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80818385
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80834597
4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80809297
2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]ethanol
CID 80771507
4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80761845
4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80757752
3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile
CID 80829044
6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine
CID 80809383

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine (CID 80792480) is 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine is CCCC(C)N(C)c1ncnc(NCC)c1C.
What is the InChIKey of 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine?
The InChIKey is ONUPWJYBAXYOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-8-10(3)17(5)13-11(4)12(14-7-2)15-9-16-13/h9-10H,6-8H2,1-5H3,(H,14,15,16).
What are the key properties of 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80792480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).