azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine

C22H23N5 — CID 69028906

IUPACazane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)c(-c2nc(N)ncc2-c2ccc3ncccc3c2)c(C)c1.N
InChIInChI=1S/C22H20N4.H3N/c1-13-9-14(2)20(15(3)10-13)21-18(12-25-22(23)26-21)16-6-7-19-17(11-16)5-4-8-24-19;/h4-12H,1-3H3,(H2,23,25,26);1H3
InChIKeyKZVMCXUKMAPEBO-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.03
Rot. Bonds2

About azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine

azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine (PubChem CID 69028906) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Nameazane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine
PubChem CID69028906
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Nameazane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)c(-c2nc(N)ncc2-c2ccc3ncccc3c2)c(C)c1.N
InChIInChI=1S/C22H20N4.H3N/c1-13-9-14(2)20(15(3)10-13)21-18(12-25-22(23)26-21)16-6-7-19-17(11-16)5-4-8-24-19;/h4-12H,1-3H3,(H2,23,25,26);1H3
InChIKeyKZVMCXUKMAPEBO-UHFFFAOYSA-N
XLogP5.03
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

azane;5-(6-chloro-3-pyridinyl)-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 87999920
4-methyl-3-quinolin-6-ylaniline
CID 81224667
6-(3-methylphenyl)quinoline
CID 4185278
6-methylquinoline
CID 7059
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide
CID 171909687
2-fluoro-6-quinolin-6-ylaniline
CID 107602869
2-propyl-4-quinolin-6-yl-1,3-thiazol-5-amine
CID 63967638
5-fluoro-4-quinolin-7-ylpyrimidin-2-amine
CID 81221984
6-[2-(4-methylphenyl)ethynyl]quinoline
CID 58362500
6-quinolin-6-ylpyrazin-2-amine
CID 81222208
5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 69029634

Frequently Asked Questions

What is the IUPAC name of azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
The IUPAC name of azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine (CID 69028906) is azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine is Cc1cc(C)c(-c2nc(N)ncc2-c2ccc3ncccc3c2)c(C)c1.N.
What is the InChIKey of azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
The InChIKey is KZVMCXUKMAPEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4.H3N/c1-13-9-14(2)20(15(3)10-13)21-18(12-25-22(23)26-21)16-6-7-19-17(11-16)5-4-8-24-19;/h4-12H,1-3H3,(H2,23,25,26);1H3.
What are the key properties of azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine has a molecular weight of 357.46 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 69028906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).