4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine

C20H16FN5 — CID 112891491

IUPAC4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESFc1ccc(CNc2ccnc(Nc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C20H16FN5/c21-16-8-6-14(7-9-16)13-24-18-10-12-23-20(26-18)25-17-5-1-3-15-4-2-11-22-19(15)17/h1-12H,13H2,(H2,23,24,25,26)
InChIKeyXYRNKTTZHVIDPY-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.52
Rot. Bonds5

About 4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine

4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112891491) has the molecular formula C20H16FN5 and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112891491
Molecular FormulaC20H16FN5
Molecular Weight345.38 g/mol
Exact Mass345.14
IUPAC Name4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESFc1ccc(CNc2ccnc(Nc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C20H16FN5/c21-16-8-6-14(7-9-16)13-24-18-10-12-23-20(26-18)25-17-5-1-3-15-4-2-11-22-19(15)17/h1-12H,13H2,(H2,23,24,25,26)
InChIKeyXYRNKTTZHVIDPY-UHFFFAOYSA-N
XLogP4.52
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891413
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112891495
4-N-[(4-chlorophenyl)methyl]-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112918050
4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112903339
2-N-tert-butyl-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891399
2-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892448
4-N-(2-ethoxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112904843
N-[3-[[4-[(4-fluorophenyl)methylamino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 112891467
2-N-(2,5-dimethoxyphenyl)-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891459
2-N-[(4-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889108
4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine
CID 112889532
4-N-[(4-fluorophenyl)methyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882681

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112891491) is 4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine is Fc1ccc(CNc2ccnc(Nc3cccc4cccnc34)n2)cc1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is XYRNKTTZHVIDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5/c21-16-8-6-14(7-9-16)13-24-18-10-12-23-20(26-18)25-17-5-1-3-15-4-2-11-22-19(15)17/h1-12H,13H2,(H2,23,24,25,26).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 345.38 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112891491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).