6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine

C19H20FN3O2 — CID 135181115

IUPAC6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)c(C(C)C)c(-c2cc3cnc(C)nc3cn2)c1F
InChIInChI=1S/C19H20FN3O2/c1-10(2)17-15(24-4)7-16(25-5)19(20)18(17)13-6-12-8-21-11(3)23-14(12)9-22-13/h6-10H,1-5H3
InChIKeyCICGHEFAMBLGTC-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.28
Rot. Bonds4

About 6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine

6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine (PubChem CID 135181115) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine
PubChem CID135181115
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)c(C(C)C)c(-c2cc3cnc(C)nc3cn2)c1F
InChIInChI=1S/C19H20FN3O2/c1-10(2)17-15(24-4)7-16(25-5)19(20)18(17)13-6-12-8-21-11(3)23-14(12)9-22-13/h6-10H,1-5H3
InChIKeyCICGHEFAMBLGTC-UHFFFAOYSA-N
XLogP4.28
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine?
The IUPAC name of 6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine (CID 135181115) is 6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine is COc1cc(OC)c(C(C)C)c(-c2cc3cnc(C)nc3cn2)c1F.
What is the InChIKey of 6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine?
The InChIKey is CICGHEFAMBLGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-10(2)17-15(24-4)7-16(25-5)19(20)18(17)13-6-12-8-21-11(3)23-14(12)9-22-13/h6-10H,1-5H3.
What are the key properties of 6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine?
6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine has a molecular weight of 341.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 135181115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).