2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine

C16H24N4S — CID 63218023

IUPAC2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CN2CCCC2(C)C)nc2sccc12
InChIInChI=1S/C16H24N4S/c1-4-8-17-14-12-6-10-21-15(12)19-13(18-14)11-20-9-5-7-16(20,2)3/h6,10H,4-5,7-9,11H2,1-3H3,(H,17,18,19)
InChIKeyQGLSGCIDDBCRGG-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.89
Rot. Bonds5

About 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine

2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63218023) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63218023
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CN2CCCC2(C)C)nc2sccc12
InChIInChI=1S/C16H24N4S/c1-4-8-17-14-12-6-10-21-15(12)19-13(18-14)11-20-9-5-7-16(20,2)3/h6,10H,4-5,7-9,11H2,1-3H3,(H,17,18,19)
InChIKeyQGLSGCIDDBCRGG-UHFFFAOYSA-N
XLogP3.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 63218023) is 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(CN2CCCC2(C)C)nc2sccc12.
What is the InChIKey of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QGLSGCIDDBCRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-8-17-14-12-6-10-21-15(12)19-13(18-14)11-20-9-5-7-16(20,2)3/h6,10H,4-5,7-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63218023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).