N-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine

C18H15FN6O — CID 174584208

IUPACN-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine
SMILESCOc1cc(-c2nc3cnc(Nc4ccc(F)cc4)nc3n2C)ccn1
InChIInChI=1S/C18H15FN6O/c1-25-16(11-7-8-20-15(9-11)26-2)23-14-10-21-18(24-17(14)25)22-13-5-3-12(19)4-6-13/h3-10H,1-2H3,(H,21,22,24)
InChIKeyCZZJYWUGCSAWPI-UHFFFAOYSA-N
MW350.36 g/mol
LogP3.32
Rot. Bonds4

About N-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine

N-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine (PubChem CID 174584208) has the molecular formula C18H15FN6O and a molecular weight of 350.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine
PubChem CID174584208
Molecular FormulaC18H15FN6O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC NameN-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine
SMILESCOc1cc(-c2nc3cnc(Nc4ccc(F)cc4)nc3n2C)ccn1
InChIInChI=1S/C18H15FN6O/c1-25-16(11-7-8-20-15(9-11)26-2)23-14-10-21-18(24-17(14)25)22-13-5-3-12(19)4-6-13/h3-10H,1-2H3,(H,21,22,24)
InChIKeyCZZJYWUGCSAWPI-UHFFFAOYSA-N
XLogP3.32
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine
CID 58441916
9-[(2,4-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-8-pyridin-4-ylpurin-2-amine
CID 58441997
9-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-8-pyridin-4-ylpurin-2-amine
CID 58441986
4-(2-methoxy-4-pyridinyl)-N-pyridin-4-ylpyrimidin-2-amine
CID 170970558
9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine
CID 24745635
5-[4-[(9-methyl-8-pyridin-4-ylpurin-2-yl)amino]phenyl]pentan-2-one
CID 58442007
2-N,9-bis(4-methoxyphenyl)-8-N-(2,4,6-trifluorophenyl)purine-2,8-diamine
CID 168843620
2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one
CID 3233678
2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine
CID 71728513
N-(2-methoxy-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 66596222
2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one
CID 3233469
4-[3-[(9-methyl-8-pyridin-4-ylpurin-2-yl)amino]phenyl]butan-2-one
CID 58441921

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine (CID 174584208) is N-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine is COc1cc(-c2nc3cnc(Nc4ccc(F)cc4)nc3n2C)ccn1.
What is the InChIKey of N-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine?
The InChIKey is CZZJYWUGCSAWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O/c1-25-16(11-7-8-20-15(9-11)26-2)23-14-10-21-18(24-17(14)25)22-13-5-3-12(19)4-6-13/h3-10H,1-2H3,(H,21,22,24).
What are the key properties of N-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine?
N-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine has a molecular weight of 350.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-8-(2-methoxy-4-pyridinyl)-9-methylpurin-2-amine is sourced from PubChem (CID 174584208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).