N-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine

C23H22N4 — CID 16749438

IUPACN-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine
SMILESCC(C)(C)c1ccc(-c2cc(Nc3ccc4cccnc4c3)ncn2)cc1
InChIInChI=1S/C23H22N4/c1-23(2,3)18-9-6-17(7-10-18)21-14-22(26-15-25-21)27-19-11-8-16-5-4-12-24-20(16)13-19/h4-15H,1-3H3,(H,25,26,27)
InChIKeyOSNBQAGGOQNXAP-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.73
Rot. Bonds3

About N-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine

N-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine (PubChem CID 16749438) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine.

Molecular Properties

Compound NameN-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine
PubChem CID16749438
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC NameN-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine
SMILESCC(C)(C)c1ccc(-c2cc(Nc3ccc4cccnc4c3)ncn2)cc1
InChIInChI=1S/C23H22N4/c1-23(2,3)18-9-6-17(7-10-18)21-14-22(26-15-25-21)27-19-11-8-16-5-4-12-24-20(16)13-19/h4-15H,1-3H3,(H,25,26,27)
InChIKeyOSNBQAGGOQNXAP-UHFFFAOYSA-N
XLogP5.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine?
The IUPAC name of N-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine (CID 16749438) is N-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine.
What is the SMILES notation for N-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine?
The canonical SMILES for N-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine is CC(C)(C)c1ccc(-c2cc(Nc3ccc4cccnc4c3)ncn2)cc1.
What is the InChIKey of N-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine?
The InChIKey is OSNBQAGGOQNXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-23(2,3)18-9-6-17(7-10-18)21-14-22(26-15-25-21)27-19-11-8-16-5-4-12-24-20(16)13-19/h4-15H,1-3H3,(H,25,26,27).
What are the key properties of N-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine?
N-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine has a molecular weight of 354.46 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-tert-butylphenyl)pyrimidin-4-yl]quinolin-7-amine is sourced from PubChem (CID 16749438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).