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

C16H18BrN3S — CID 105410512

IUPAC2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(C)c(Br)c2)nc2c1CSC2
InChIInChI=1S/C16H18BrN3S/c1-3-6-18-16-12-8-21-9-14(12)19-15(20-16)11-5-4-10(2)13(17)7-11/h4-5,7H,3,6,8-9H2,1-2H3,(H,18,19,20)
InChIKeyZBSPQLCFMUUENV-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.78
Rot. Bonds4

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

2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 105410512) has the molecular formula C16H18BrN3S and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID105410512
Molecular FormulaC16H18BrN3S
Molecular Weight364.31 g/mol
Exact Mass363.04
IUPAC Name2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(C)c(Br)c2)nc2c1CSC2
InChIInChI=1S/C16H18BrN3S/c1-3-6-18-16-12-8-21-9-14(12)19-15(20-16)11-5-4-10(2)13(17)7-11/h4-5,7H,3,6,8-9H2,1-2H3,(H,18,19,20)
InChIKeyZBSPQLCFMUUENV-UHFFFAOYSA-N
XLogP4.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.78
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-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 105410512) is 2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCCNc1nc(-c2ccc(C)c(Br)c2)nc2c1CSC2.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is ZBSPQLCFMUUENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3S/c1-3-6-18-16-12-8-21-9-14(12)19-15(20-16)11-5-4-10(2)13(17)7-11/h4-5,7H,3,6,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 364.31 g/mol, XLogP of 4.78, 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-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 105410512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).