2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C15H15BrClN3S — CID 83193253

IUPAC2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Cl)c(Br)c2)nc2c1CSC2
InChIInChI=1S/C15H15BrClN3S/c1-2-5-18-15-10-7-21-8-13(10)19-14(20-15)9-3-4-12(17)11(16)6-9/h3-4,6H,2,5,7-8H2,1H3,(H,18,19,20)
InChIKeyUORJBWNHRJBMRJ-UHFFFAOYSA-N
MW384.73 g/mol
LogP5.13
Rot. Bonds4

About 2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83193253) has the molecular formula C15H15BrClN3S and a molecular weight of 384.73 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83193253
Molecular FormulaC15H15BrClN3S
Molecular Weight384.73 g/mol
Exact Mass382.99
IUPAC Name2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Cl)c(Br)c2)nc2c1CSC2
InChIInChI=1S/C15H15BrClN3S/c1-2-5-18-15-10-7-21-8-13(10)19-14(20-15)9-3-4-12(17)11(16)6-9/h3-4,6H,2,5,7-8H2,1H3,(H,18,19,20)
InChIKeyUORJBWNHRJBMRJ-UHFFFAOYSA-N
XLogP5.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.73
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83193253) is 2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCCNc1nc(-c2ccc(Cl)c(Br)c2)nc2c1CSC2.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is UORJBWNHRJBMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3S/c1-2-5-18-15-10-7-21-8-13(10)19-14(20-15)9-3-4-12(17)11(16)6-9/h3-4,6H,2,5,7-8H2,1H3,(H,18,19,20).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 384.73 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83193253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).