N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine

C21H23N3 — CID 142806222

IUPACN-pentan-2-yl-2,6-diphenylpyrimidin-4-amine
SMILESCCCC(C)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H23N3/c1-3-10-16(2)22-20-15-19(17-11-6-4-7-12-17)23-21(24-20)18-13-8-5-9-14-18/h4-9,11-16H,3,10H2,1-2H3,(H,22,23,24)
InChIKeyQGHRDWNKGKDTKK-UHFFFAOYSA-N
MW317.44 g/mol
LogP5.41
Rot. Bonds6

About N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine

N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine (PubChem CID 142806222) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-pentan-2-yl-2,6-diphenylpyrimidin-4-amine
PubChem CID142806222
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC NameN-pentan-2-yl-2,6-diphenylpyrimidin-4-amine
SMILESCCCC(C)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H23N3/c1-3-10-16(2)22-20-15-19(17-11-6-4-7-12-17)23-21(24-20)18-13-8-5-9-14-18/h4-9,11-16H,3,10H2,1-2H3,(H,22,23,24)
InChIKeyQGHRDWNKGKDTKK-UHFFFAOYSA-N
XLogP5.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879173
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine
CID 59340718
4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol
CID 115914889
6-N-butan-2-yl-4-N-butyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112879896
N-butan-2-yl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879854
4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879574
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutanamide
CID 11371386
6-(azepan-1-yl)-N-butan-2-yl-2-phenylpyrimidin-4-amine
CID 112879898
6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine
CID 115915170
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine
CID 1235439

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine?
The IUPAC name of N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine (CID 142806222) is N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine.
What is the SMILES notation for N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine?
The canonical SMILES for N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine is CCCC(C)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine?
The InChIKey is QGHRDWNKGKDTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-3-10-16(2)22-20-15-19(17-11-6-4-7-12-17)23-21(24-20)18-13-8-5-9-14-18/h4-9,11-16H,3,10H2,1-2H3,(H,22,23,24).
What are the key properties of N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine?
N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine has a molecular weight of 317.44 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine is sourced from PubChem (CID 142806222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).