4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine

C16H30N4 — CID 107819112

IUPAC4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCCC(CC)CNc1nc(CCC)nc(N)c1C
InChIInChI=1S/C16H30N4/c1-5-8-10-13(7-3)11-18-16-12(4)15(17)19-14(20-16)9-6-2/h13H,5-11H2,1-4H3,(H3,17,18,19,20)
InChIKeyODDIMMJPSONHIC-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.95
Rot. Bonds9

About 4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine

4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 107819112) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID107819112
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCCC(CC)CNc1nc(CCC)nc(N)c1C
InChIInChI=1S/C16H30N4/c1-5-8-10-13(7-3)11-18-16-12(4)15(17)19-14(20-16)9-6-2/h13H,5-11H2,1-4H3,(H3,17,18,19,20)
InChIKeyODDIMMJPSONHIC-UHFFFAOYSA-N
XLogP3.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146362
1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 113493096
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
5-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163224
3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852457
5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
CID 104592591
5-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981416
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 104830532
5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80987275
4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide
CID 80994095
5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 107819499
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylpyrimidine-4,6-diamine
CID 80983070

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine (CID 107819112) is 4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine is CCCCC(CC)CNc1nc(CCC)nc(N)c1C.
What is the InChIKey of 4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is ODDIMMJPSONHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-8-10-13(7-3)11-18-16-12(4)15(17)19-14(20-16)9-6-2/h13H,5-11H2,1-4H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 107819112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).