6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine

C16H30N4 — CID 80800524

IUPAC6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCCCCC(C)Nc1cc(C)nc(NCCC)n1
InChIInChI=1S/C16H30N4/c1-5-7-8-9-10-13(3)18-15-12-14(4)19-16(20-15)17-11-6-2/h12-13H,5-11H2,1-4H3,(H2,17,18,19,20)
InChIKeyXPRONXKOBVXUGN-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.38
Rot. Bonds10

About 6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine

6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80800524) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80800524
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCCCCC(C)Nc1cc(C)nc(NCCC)n1
InChIInChI=1S/C16H30N4/c1-5-7-8-9-10-13(3)18-15-12-14(4)19-16(20-15)17-11-6-2/h12-13H,5-11H2,1-4H3,(H2,17,18,19,20)
InChIKeyXPRONXKOBVXUGN-UHFFFAOYSA-N
XLogP4.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80839957
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80785414
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770422
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842663
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80800452
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565668
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852528

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine (CID 80800524) is 6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine is CCCCCCC(C)Nc1cc(C)nc(NCCC)n1.
What is the InChIKey of 6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is XPRONXKOBVXUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-7-8-9-10-13(3)18-15-12-14(4)19-16(20-15)17-11-6-2/h12-13H,5-11H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine?
6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80800524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).