4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

C13H19N5S — CID 103325288

IUPAC4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCN1CCC(CNc2nc(N)nc3sccc23)C1
InChIInChI=1S/C13H19N5S/c1-2-18-5-3-9(8-18)7-15-11-10-4-6-19-12(10)17-13(14)16-11/h4,6,9H,2-3,5,7-8H2,1H3,(H3,14,15,16,17)
InChIKeyDPSOHAUOVWYRLI-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.03
Rot. Bonds4

About 4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325288) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325288
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCN1CCC(CNc2nc(N)nc3sccc23)C1
InChIInChI=1S/C13H19N5S/c1-2-18-5-3-9(8-18)7-15-11-10-4-6-19-12(10)17-13(14)16-11/h4,6,9H,2-3,5,7-8H2,1H3,(H3,14,15,16,17)
InChIKeyDPSOHAUOVWYRLI-UHFFFAOYSA-N
XLogP2.03
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321274
2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404269
4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 107421156
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321359
[2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103328665
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332422
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80775529
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
6-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-2,6-diamine
CID 80646581
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103333215
2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258455

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103325288) is 4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is CCN1CCC(CNc2nc(N)nc3sccc23)C1.
What is the InChIKey of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is DPSOHAUOVWYRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-2-18-5-3-9(8-18)7-15-11-10-4-6-19-12(10)17-13(14)16-11/h4,6,9H,2-3,5,7-8H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 277.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).