4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine

C18H23FN2O — CID 123943623

IUPAC4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine
SMILESCCC(C)(F)c1cnc(C)nc1OC1CC2=CC=CCC2C1
InChIInChI=1S/C18H23FN2O/c1-4-18(3,19)16-11-20-12(2)21-17(16)22-15-9-13-7-5-6-8-14(13)10-15/h5-7,11,14-15H,4,8-10H2,1-3H3
InChIKeyUZQUKIVWBYOJNS-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.42
Rot. Bonds4

About 4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine

4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine (PubChem CID 123943623) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine
PubChem CID123943623
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine
SMILESCCC(C)(F)c1cnc(C)nc1OC1CC2=CC=CCC2C1
InChIInChI=1S/C18H23FN2O/c1-4-18(3,19)16-11-20-12(2)21-17(16)22-15-9-13-7-5-6-8-14(13)10-15/h5-7,11,14-15H,4,8-10H2,1-3H3
InChIKeyUZQUKIVWBYOJNS-UHFFFAOYSA-N
XLogP4.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine?
The IUPAC name of 4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine (CID 123943623) is 4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine?
The canonical SMILES for 4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine is CCC(C)(F)c1cnc(C)nc1OC1CC2=CC=CCC2C1.
What is the InChIKey of 4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine?
The InChIKey is UZQUKIVWBYOJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-4-18(3,19)16-11-20-12(2)21-17(16)22-15-9-13-7-5-6-8-14(13)10-15/h5-7,11,14-15H,4,8-10H2,1-3H3.
What are the key properties of 4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine?
4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine has a molecular weight of 302.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine is sourced from PubChem (CID 123943623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).