4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine

C21H19N5 — CID 112890645

IUPAC4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCC(Nc1ccnc(Nc2cccc3cccnc23)n1)c1ccccc1
InChIInChI=1S/C21H19N5/c1-15(16-7-3-2-4-8-16)24-19-12-14-23-21(26-19)25-18-11-5-9-17-10-6-13-22-20(17)18/h2-15H,1H3,(H2,23,24,25,26)
InChIKeyQWCMFJPEENZICT-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.94
Rot. Bonds5

About 4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine

4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112890645) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112890645
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCC(Nc1ccnc(Nc2cccc3cccnc23)n1)c1ccccc1
InChIInChI=1S/C21H19N5/c1-15(16-7-3-2-4-8-16)24-19-12-14-23-21(26-19)25-18-11-5-9-17-10-6-13-22-20(17)18/h2-15H,1H3,(H2,23,24,25,26)
InChIKeyQWCMFJPEENZICT-UHFFFAOYSA-N
XLogP4.94
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890568
4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112903339
4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905125
4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112890667
4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905205
4-N-(2-ethoxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112904843
N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109295489
N-[1-(4-methoxyphenyl)ethyl]quinolin-8-amine
CID 43191660
2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882053
2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906494
N-(1-phenylethyl)-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109280869
N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
CID 43093613

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112890645) is 4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine is CC(Nc1ccnc(Nc2cccc3cccnc23)n1)c1ccccc1.
What is the InChIKey of 4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is QWCMFJPEENZICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-15(16-7-3-2-4-8-16)24-19-12-14-23-21(26-19)25-18-11-5-9-17-10-6-13-22-20(17)18/h2-15H,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 341.42 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112890645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).