2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C16H19N3S — CID 83190571

IUPAC2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccccc2)nc2c1CSC2
InChIInChI=1S/C16H19N3S/c1-2-8-17-16-13-10-20-11-14(13)18-15(19-16)9-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,17,18,19)
InChIKeyBLVHOHFZIBFFTK-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.64
Rot. Bonds5

About 2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83190571) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83190571
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccccc2)nc2c1CSC2
InChIInChI=1S/C16H19N3S/c1-2-8-17-16-13-10-20-11-14(13)18-15(19-16)9-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,17,18,19)
InChIKeyBLVHOHFZIBFFTK-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83190571) is 2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCCNc1nc(Cc2ccccc2)nc2c1CSC2.
What is the InChIKey of 2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is BLVHOHFZIBFFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-8-17-16-13-10-20-11-14(13)18-15(19-16)9-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,17,18,19).
What are the key properties of 2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 285.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83190571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).