4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine

C23H26FN5O — CID 57395995

IUPAC4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(F)cc3C)cc(N3CCCCC3)n2)cc1
InChIInChI=1S/C23H26FN5O/c1-16-14-17(24)6-11-20(16)26-21-15-22(29-12-4-3-5-13-29)28-23(27-21)25-18-7-9-19(30-2)10-8-18/h6-11,14-15H,3-5,12-13H2,1-2H3,(H2,25,26,27,28)
InChIKeyCZOLAOWNMUBTGH-UHFFFAOYSA-N
MW407.49 g/mol
LogP5.41
Rot. Bonds6

About 4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine

4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine (PubChem CID 57395995) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
PubChem CID57395995
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(F)cc3C)cc(N3CCCCC3)n2)cc1
InChIInChI=1S/C23H26FN5O/c1-16-14-17(24)6-11-20(16)26-21-15-22(29-12-4-3-5-13-29)28-23(27-21)25-18-7-9-19(30-2)10-8-18/h6-11,14-15H,3-5,12-13H2,1-2H3,(H2,25,26,27,28)
InChIKeyCZOLAOWNMUBTGH-UHFFFAOYSA-N
XLogP5.41
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.49
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine with MolForge

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Related Compounds

Verubulin
CID 11414799
CP-31398
CID 9950868
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 11417694
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
CID 2952997
CID 2952997
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
2,4-Disubstituted Pyrimidine 2g
CID 5329420
6-Methoxy-N-(4-methoxyphenyl)-4-quinazolinamine
CID 9926999

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine (CID 57395995) is 4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine is COc1ccc(Nc2nc(Nc3ccc(F)cc3C)cc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine?
The InChIKey is CZOLAOWNMUBTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-16-14-17(24)6-11-20(16)26-21-15-22(29-12-4-3-5-13-29)28-23(27-21)25-18-7-9-19(30-2)10-8-18/h6-11,14-15H,3-5,12-13H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine?
4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 407.49 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 57395995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).