6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine

C15H23N5S — CID 103329267

IUPAC6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCC(C)N3CCCC3)nc(N)nc2s1
InChIInChI=1S/C15H23N5S/c1-3-11-8-12-13(18-15(16)19-14(12)21-11)17-9-10(2)20-6-4-5-7-20/h8,10H,3-7,9H2,1-2H3,(H3,16,17,18,19)
InChIKeyVNARHFYBYKLWLY-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.73
Rot. Bonds5

About 6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329267) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329267
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCC(C)N3CCCC3)nc(N)nc2s1
InChIInChI=1S/C15H23N5S/c1-3-11-8-12-13(18-15(16)19-14(12)21-11)17-9-10(2)20-6-4-5-7-20/h8,10H,3-7,9H2,1-2H3,(H3,16,17,18,19)
InChIKeyVNARHFYBYKLWLY-UHFFFAOYSA-N
XLogP2.73
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-ethyl-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322212
1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
6-ethyl-4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327914
6-ethyl-4-N-(5-methylhexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329299
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324772
6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330088
4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 103329690
6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329523
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103329267) is 6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NCC(C)N3CCCC3)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is VNARHFYBYKLWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-3-11-8-12-13(18-15(16)19-14(12)21-11)17-9-10(2)20-6-4-5-7-20/h8,10H,3-7,9H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 305.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).