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

C15H23N5S — CID 103327339

IUPAC2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCCN2CCCC2)c2cc(C)sc2n1
InChIInChI=1S/C15H23N5S/c1-3-16-15-18-13(12-10-11(2)21-14(12)19-15)17-6-9-20-7-4-5-8-20/h10H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyOWFFVTIBZSJHFW-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.94
Rot. Bonds6

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

2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327339) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327339
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCCN2CCCC2)c2cc(C)sc2n1
InChIInChI=1S/C15H23N5S/c1-3-16-15-18-13(12-10-11(2)21-14(12)19-15)17-6-9-20-7-4-5-8-20/h10H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyOWFFVTIBZSJHFW-UHFFFAOYSA-N
XLogP2.94
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327339) is 2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCCN2CCCC2)c2cc(C)sc2n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OWFFVTIBZSJHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-3-16-15-18-13(12-10-11(2)21-14(12)19-15)17-6-9-20-7-4-5-8-20/h10H,3-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 305.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).