4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine

C23H23N5 — CID 112903339

IUPAC4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCC(C)(C)c1ccccc1Nc1ccnc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C23H23N5/c1-23(2,3)17-10-4-5-11-18(17)26-20-13-15-25-22(28-20)27-19-12-6-8-16-9-7-14-24-21(16)19/h4-15H,1-3H3,(H2,25,26,27,28)
InChIKeyAFPULSAAEHQYNV-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.81
Rot. Bonds4

About 4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine

4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112903339) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112903339
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCC(C)(C)c1ccccc1Nc1ccnc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C23H23N5/c1-23(2,3)17-10-4-5-11-18(17)26-20-13-15-25-22(28-20)27-19-12-6-8-16-9-7-14-24-21(16)19/h4-15H,1-3H3,(H2,25,26,27,28)
InChIKeyAFPULSAAEHQYNV-UHFFFAOYSA-N
XLogP5.81
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905125
4-N-(2-ethoxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112904843
2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882053
4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112890645
2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906494
4-N-butyl-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine
CID 112882902
N-pyridin-2-ylquinolin-8-amine
CID 82537542
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906499
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906512
ethyl 2-[[4-(quinolin-8-ylamino)pyrimidin-2-yl]amino]benzoate
CID 112906500
ethyl 2-[[2-(quinolin-8-ylamino)pyrimidin-4-yl]amino]benzoate
CID 112906513
4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905205

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112903339) is 4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine is CC(C)(C)c1ccccc1Nc1ccnc(Nc2cccc3cccnc23)n1.
What is the InChIKey of 4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is AFPULSAAEHQYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-23(2,3)17-10-4-5-11-18(17)26-20-13-15-25-22(28-20)27-19-12-6-8-16-9-7-14-24-21(16)19/h4-15H,1-3H3,(H2,25,26,27,28).
What are the key properties of 4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 369.47 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112903339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).