6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine

C22H19FN8OS — CID 151255455

IUPAC6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(-c2cc(NCCc3cc4cccnc4cc3F)ncn2)sc1-c1nn[nH]n1
InChIInChI=1S/C22H19FN8OS/c1-2-32-18-11-19(33-21(18)22-28-30-31-29-22)17-10-20(27-12-26-17)25-7-5-13-8-14-4-3-6-24-16(14)9-15(13)23/h3-4,6,8-12H,2,5,7H2,1H3,(H,25,26,27)(H,28,29,30,31)
InChIKeyNTFQNANMRDBKOO-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.13
Rot. Bonds8

About 6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine

6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine (PubChem CID 151255455) has the molecular formula C22H19FN8OS and a molecular weight of 462.51 g/mol. Its IUPAC name is 6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine
PubChem CID151255455
Molecular FormulaC22H19FN8OS
Molecular Weight462.51 g/mol
Exact Mass462.14
IUPAC Name6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(-c2cc(NCCc3cc4cccnc4cc3F)ncn2)sc1-c1nn[nH]n1
InChIInChI=1S/C22H19FN8OS/c1-2-32-18-11-19(33-21(18)22-28-30-31-29-22)17-10-20(27-12-26-17)25-7-5-13-8-14-4-3-6-24-16(14)9-15(13)23/h3-4,6,8-12H,2,5,7H2,1H3,(H,25,26,27)(H,28,29,30,31)
InChIKeyNTFQNANMRDBKOO-UHFFFAOYSA-N
XLogP4.13
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine (CID 151255455) is 6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine is CCOc1cc(-c2cc(NCCc3cc4cccnc4cc3F)ncn2)sc1-c1nn[nH]n1.
What is the InChIKey of 6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine?
The InChIKey is NTFQNANMRDBKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8OS/c1-2-32-18-11-19(33-21(18)22-28-30-31-29-22)17-10-20(27-12-26-17)25-7-5-13-8-14-4-3-6-24-16(14)9-15(13)23/h3-4,6,8-12H,2,5,7H2,1H3,(H,25,26,27)(H,28,29,30,31).
What are the key properties of 6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine?
6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine has a molecular weight of 462.51 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-ethoxy-5-(2H-tetrazol-5-yl)thiophen-2-yl]-N-[2-(7-fluoroquinolin-6-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 151255455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).