N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H22N4S — CID 23906527

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCCC1CNc1nc(C)nc2sc(C)cc12
InChIInChI=1S/C15H22N4S/c1-4-19-7-5-6-12(19)9-16-14-13-8-10(2)20-15(13)18-11(3)17-14/h8,12H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeySXVUOKBBZDLMGH-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.20
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 23906527) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID23906527
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN1CCCC1CNc1nc(C)nc2sc(C)cc12
InChIInChI=1S/C15H22N4S/c1-4-19-7-5-6-12(19)9-16-14-13-8-10(2)20-15(13)18-11(3)17-14/h8,12H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeySXVUOKBBZDLMGH-UHFFFAOYSA-N
XLogP3.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 23906527) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCN1CCCC1CNc1nc(C)nc2sc(C)cc12.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SXVUOKBBZDLMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-19-7-5-6-12(19)9-16-14-13-8-10(2)20-15(13)18-11(3)17-14/h8,12H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 290.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 23906527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).