N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine

C19H27N3 — CID 59340643

IUPACN-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCCCCC(CC)CNc1cc(C)nc(-c2ccccc2)n1
InChIInChI=1S/C19H27N3/c1-4-6-10-16(5-2)14-20-18-13-15(3)21-19(22-18)17-11-8-7-9-12-17/h7-9,11-13,16H,4-6,10,14H2,1-3H3,(H,20,21,22)
InChIKeyUHBILQUBHVOAIR-UHFFFAOYSA-N
MW297.45 g/mol
LogP5.08
Rot. Bonds8

About N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine

N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine (PubChem CID 59340643) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine
PubChem CID59340643
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC NameN-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCCCCC(CC)CNc1cc(C)nc(-c2ccccc2)n1
InChIInChI=1S/C19H27N3/c1-4-6-10-16(5-2)14-20-18-13-15(3)21-19(22-18)17-11-8-7-9-12-17/h7-9,11-13,16H,4-6,10,14H2,1-3H3,(H,20,21,22)
InChIKeyUHBILQUBHVOAIR-UHFFFAOYSA-N
XLogP5.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine
CID 59340718
N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine
CID 59340782
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 115915739
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
N-(2-ethylhexyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 107816517
2-N-(2-ethylhexyl)-6-N-methylpyrazine-2,6-diamine
CID 114004493
2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 63485987
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
6-chloro-N-(2-ethylhexyl)-2-methylsulfanylpyrimidin-4-amine
CID 114004374
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650
N-(2-ethylhexyl)-1-phenylpyrazolo[3,4-b]pyrazin-5-amine
CID 54333376

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine (CID 59340643) is N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine is CCCCC(CC)CNc1cc(C)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is UHBILQUBHVOAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-4-6-10-16(5-2)14-20-18-13-15(3)21-19(22-18)17-11-8-7-9-12-17/h7-9,11-13,16H,4-6,10,14H2,1-3H3,(H,20,21,22).
What are the key properties of N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine?
N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 297.45 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-6-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 59340643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).