2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine

C15H17BrClN3S — CID 102843722

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(-c3cc(Br)c(Cl)s3)ncc21
InChIInChI=1S/C15H17BrClN3S/c1-2-6-18-11-4-3-5-12-9(11)8-19-15(20-12)13-7-10(16)14(17)21-13/h7-8,11,18H,2-6H2,1H3
InChIKeyFDVYKEXQUKQOBA-UHFFFAOYSA-N
MW386.75 g/mol
LogP5.00
Rot. Bonds4

About 2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine

2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 102843722) has the molecular formula C15H17BrClN3S and a molecular weight of 386.75 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID102843722
Molecular FormulaC15H17BrClN3S
Molecular Weight386.75 g/mol
Exact Mass385.00
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(-c3cc(Br)c(Cl)s3)ncc21
InChIInChI=1S/C15H17BrClN3S/c1-2-6-18-11-4-3-5-12-9(11)8-19-15(20-12)13-7-10(16)14(17)21-13/h7-8,11,18H,2-6H2,1H3
InChIKeyFDVYKEXQUKQOBA-UHFFFAOYSA-N
XLogP5.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.75
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 102843722) is 2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine is CCCNC1CCCc2nc(-c3cc(Br)c(Cl)s3)ncc21.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is FDVYKEXQUKQOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3S/c1-2-6-18-11-4-3-5-12-9(11)8-19-15(20-12)13-7-10(16)14(17)21-13/h7-8,11,18H,2-6H2,1H3.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 386.75 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 102843722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).