6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine

C13H24N4 — CID 80818385

IUPAC6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
SMILESCCCC(CC)Nc1ncnc(NCC)c1C
InChIInChI=1S/C13H24N4/c1-5-8-11(6-2)17-13-10(4)12(14-7-3)15-9-16-13/h9,11H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyPKPCOFTXALHUAJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.21
Rot. Bonds7

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

6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine (PubChem CID 80818385) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
PubChem CID80818385
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
SMILESCCCC(CC)Nc1ncnc(NCC)c1C
InChIInChI=1S/C13H24N4/c1-5-8-11(6-2)17-13-10(4)12(14-7-3)15-9-16-13/h9,11H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyPKPCOFTXALHUAJ-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80821693
6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine
CID 80818386
6-N-ethyl-4-N-hexan-3-yl-5-nitropyrimidine-4,6-diamine
CID 80817413
6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80982661
6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80769783
6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783228
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80792480
6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80821688
4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
4-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80816428
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819158

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine (CID 80818385) is 6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine is CCCC(CC)Nc1ncnc(NCC)c1C.
What is the InChIKey of 6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine?
The InChIKey is PKPCOFTXALHUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-8-11(6-2)17-13-10(4)12(14-7-3)15-9-16-13/h9,11H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80818385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).