6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine

C23H22FN5O2 — CID 163369293

IUPAC6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCNc1ncc2cc(-c3cccc(-c4cc(OC)ccc4OC)c3F)c(NC)nc2n1
InChIInChI=1S/C23H22FN5O2/c1-25-22-18(10-13-12-27-23(26-2)29-21(13)28-22)16-7-5-6-15(20(16)24)17-11-14(30-3)8-9-19(17)31-4/h5-12H,1-4H3,(H2,25,26,27,28,29)
InChIKeyHPNUQUJPYZBFFS-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.60
Rot. Bonds6

About 6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine

6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 163369293) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID163369293
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCNc1ncc2cc(-c3cccc(-c4cc(OC)ccc4OC)c3F)c(NC)nc2n1
InChIInChI=1S/C23H22FN5O2/c1-25-22-18(10-13-12-27-23(26-2)29-21(13)28-22)16-7-5-6-15(20(16)24)17-11-14(30-3)8-9-19(17)31-4/h5-12H,1-4H3,(H2,25,26,27,28,29)
InChIKeyHPNUQUJPYZBFFS-UHFFFAOYSA-N
XLogP4.60
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of 6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine (CID 163369293) is 6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for 6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine is CNc1ncc2cc(-c3cccc(-c4cc(OC)ccc4OC)c3F)c(NC)nc2n1.
What is the InChIKey of 6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is HPNUQUJPYZBFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-25-22-18(10-13-12-27-23(26-2)29-21(13)28-22)16-7-5-6-15(20(16)24)17-11-14(30-3)8-9-19(17)31-4/h5-12H,1-4H3,(H2,25,26,27,28,29).
What are the key properties of 6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine?
6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 419.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 163369293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).