N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine

C24H29N3 — CID 59340718

IUPACN-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine
SMILESCCCCC(CC)CNc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C24H29N3/c1-3-5-12-19(4-2)18-25-23-17-22(20-13-8-6-9-14-20)26-24(27-23)21-15-10-7-11-16-21/h6-11,13-17,19H,3-5,12,18H2,1-2H3,(H,25,26,27)
InChIKeyUBLWCWHNFRYLSV-UHFFFAOYSA-N
MW359.52 g/mol
LogP6.44
Rot. Bonds9

About N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine

N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine (PubChem CID 59340718) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine
PubChem CID59340718
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC NameN-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine
SMILESCCCCC(CC)CNc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C24H29N3/c1-3-5-12-19(4-2)18-25-23-17-22(20-13-8-6-9-14-20)26-24(27-23)21-15-10-7-11-16-21/h6-11,13-17,19H,3-5,12,18H2,1-2H3,(H,25,26,27)
InChIKeyUBLWCWHNFRYLSV-UHFFFAOYSA-N
XLogP6.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.52
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine
CID 59340643
N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine
CID 142806222
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 115915739
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879173
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide
CID 11371386
2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933755
N-(2-ethylhexyl)-1,3-benzothiazol-2-amine
CID 103603194
N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine
CID 59340782

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine?
The IUPAC name of N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine (CID 59340718) is N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine is CCCCC(CC)CNc1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine?
The InChIKey is UBLWCWHNFRYLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3/c1-3-5-12-19(4-2)18-25-23-17-22(20-13-8-6-9-14-20)26-24(27-23)21-15-10-7-11-16-21/h6-11,13-17,19H,3-5,12,18H2,1-2H3,(H,25,26,27).
What are the key properties of N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine?
N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine has a molecular weight of 359.52 g/mol, XLogP of 6.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine is sourced from PubChem (CID 59340718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).