4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine

C19H15FN2S — CID 134387971

IUPAC4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine
SMILESCC(C)c1csc2c(-c3cc4ccccc4cc3F)ncnc12
InChIInChI=1S/C19H15FN2S/c1-11(2)15-9-23-19-17(21-10-22-18(15)19)14-7-12-5-3-4-6-13(12)8-16(14)20/h3-11H,1-2H3
InChIKeyXGZGHCIAWXZLML-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.77
Rot. Bonds2

About 4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine

4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine (PubChem CID 134387971) has the molecular formula C19H15FN2S and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine
PubChem CID134387971
Molecular FormulaC19H15FN2S
Molecular Weight322.41 g/mol
Exact Mass322.09
IUPAC Name4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine
SMILESCC(C)c1csc2c(-c3cc4ccccc4cc3F)ncnc12
InChIInChI=1S/C19H15FN2S/c1-11(2)15-9-23-19-17(21-10-22-18(15)19)14-7-12-5-3-4-6-13(12)8-16(14)20/h3-11H,1-2H3
InChIKeyXGZGHCIAWXZLML-UHFFFAOYSA-N
XLogP5.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-Fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 731474
7-Phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 56666922
4-[(4-Fluorobenzyl)thio]-5-phenylthieno[2,3-d]pyrimidine
CID 1191721
5-(4-Methylphenyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
CID 1472730
2-N-benzyl-4-N-[(2,4-dimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 49778599
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-naphthalen-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 164629226
3-(4-Fluorophenyl)-7-(4-methylpyrimidin-5-yl)thieno[3,2-b]pyridine
CID 71544374
7-(4-Cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)thieno[3,2-b]pyridine
CID 71544375
2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide
CID 703907
N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17450208
N-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 46948639
4-(5-fluoro-2-methylphenyl)-6-phenyl-N-propan-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 49786767

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine (CID 134387971) is 4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine is CC(C)c1csc2c(-c3cc4ccccc4cc3F)ncnc12.
What is the InChIKey of 4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine?
The InChIKey is XGZGHCIAWXZLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2S/c1-11(2)15-9-23-19-17(21-10-22-18(15)19)14-7-12-5-3-4-6-13(12)8-16(14)20/h3-11H,1-2H3.
What are the key properties of 4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine?
4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine has a molecular weight of 322.41 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoronaphthalen-2-yl)-7-propan-2-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 134387971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).