6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine

C16H15FN2OS — CID 163391869

IUPAC6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
SMILESCC(C)(C)c1cc2c(Oc3ccccc3F)ncnc2s1
InChIInChI=1S/C16H15FN2OS/c1-16(2,3)13-8-10-14(18-9-19-15(10)21-13)20-12-7-5-4-6-11(12)17/h4-9H,1-3H3
InChIKeyDGYFXKGCJGKPKH-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.92
Rot. Bonds2

About 6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine

6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine (PubChem CID 163391869) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
PubChem CID163391869
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
SMILESCC(C)(C)c1cc2c(Oc3ccccc3F)ncnc2s1
InChIInChI=1S/C16H15FN2OS/c1-16(2,3)13-8-10-14(18-9-19-15(10)21-13)20-12-7-5-4-6-11(12)17/h4-9H,1-3H3
InChIKeyDGYFXKGCJGKPKH-UHFFFAOYSA-N
XLogP4.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Phenoxythieno[2,3-d]pyrimidine
CID 710993
2-Methylthieno[2,3-d]pyrimidin-4-yl phenyl ether
CID 1233965
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2443590
T5282004
CID 2468821
4-(4-Methylphenoxy)thieno[2,3-d]pyrimidine
CID 710977
MRGPRX1 agonist 2
CID 719971
MRGPRX1 agonist 3
CID 9212907
N-(4-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 16666961
6-(4-fluoro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 117803651
6-Tert-butyl-4-(2-fluorophenoxy)-5-phenylthieno[2,3-d]pyrimidine
CID 163391841
6-Tert-butyl-4-(2-fluorophenoxy)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
CID 163391875

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine (CID 163391869) is 6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine is CC(C)(C)c1cc2c(Oc3ccccc3F)ncnc2s1.
What is the InChIKey of 6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is DGYFXKGCJGKPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-16(2,3)13-8-10-14(18-9-19-15(10)21-13)20-12-7-5-4-6-11(12)17/h4-9H,1-3H3.
What are the key properties of 6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine?
6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 302.37 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 163391869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).