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

C14H20N4S — CID 103329872

IUPACN-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCCC1CCN(c2nc(NC)nc3sccc23)C1
InChIInChI=1S/C14H20N4S/c1-3-4-10-5-7-18(9-10)12-11-6-8-19-13(11)17-14(15-2)16-12/h6,8,10H,3-5,7,9H2,1-2H3,(H,15,16,17)
InChIKeySTGCCXVVJCABPC-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.36
Rot. Bonds4

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

N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103329872) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103329872
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCCC1CCN(c2nc(NC)nc3sccc23)C1
InChIInChI=1S/C14H20N4S/c1-3-4-10-5-7-18(9-10)12-11-6-8-19-13(11)17-14(15-2)16-12/h6,8,10H,3-5,7,9H2,1-2H3,(H,15,16,17)
InChIKeySTGCCXVVJCABPC-UHFFFAOYSA-N
XLogP3.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103329872) is N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine is CCCC1CCN(c2nc(NC)nc3sccc23)C1.
What is the InChIKey of N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is STGCCXVVJCABPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-4-10-5-7-18(9-10)12-11-6-8-19-13(11)17-14(15-2)16-12/h6,8,10H,3-5,7,9H2,1-2H3,(H,15,16,17).
What are the key properties of N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103329872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).