4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C19H16FN3O — CID 133376807

IUPAC4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1cc(Oc2nc(-c3ccncc3)nc3c2CCC3)ccc1F
InChIInChI=1S/C19H16FN3O/c1-12-11-14(5-6-16(12)20)24-19-15-3-2-4-17(15)22-18(23-19)13-7-9-21-10-8-13/h5-11H,2-4H2,1H3
InChIKeyHXSHEEHGJGUBEW-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.27
Rot. Bonds3

About 4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 133376807) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID133376807
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1cc(Oc2nc(-c3ccncc3)nc3c2CCC3)ccc1F
InChIInChI=1S/C19H16FN3O/c1-12-11-14(5-6-16(12)20)24-19-15-3-2-4-17(15)22-18(23-19)13-7-9-21-10-8-13/h5-11H,2-4H2,1H3
InChIKeyHXSHEEHGJGUBEW-UHFFFAOYSA-N
XLogP4.27
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 133376807) is 4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1cc(Oc2nc(-c3ccncc3)nc3c2CCC3)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is HXSHEEHGJGUBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-12-11-14(5-6-16(12)20)24-19-15-3-2-4-17(15)22-18(23-19)13-7-9-21-10-8-13/h5-11H,2-4H2,1H3.
What are the key properties of 4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 321.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 133376807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).