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

C13H19N5S — CID 103327608

IUPAC4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCN(CCN1CCCC1)c1nc(N)nc2sccc12
InChIInChI=1S/C13H19N5S/c1-17(7-8-18-5-2-3-6-18)11-10-4-9-19-12(10)16-13(14)15-11/h4,9H,2-3,5-8H2,1H3,(H2,14,15,16)
InChIKeyNFZIGEWJACWKRS-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.81
Rot. Bonds4

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

4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327608) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327608
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCN(CCN1CCCC1)c1nc(N)nc2sccc12
InChIInChI=1S/C13H19N5S/c1-17(7-8-18-5-2-3-6-18)11-10-4-9-19-12(10)16-13(14)15-11/h4,9H,2-3,5-8H2,1H3,(H2,14,15,16)
InChIKeyNFZIGEWJACWKRS-UHFFFAOYSA-N
XLogP1.81
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327608) is 4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CN(CCN1CCCC1)c1nc(N)nc2sccc12.
What is the InChIKey of 4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is NFZIGEWJACWKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-17(7-8-18-5-2-3-6-18)11-10-4-9-19-12(10)16-13(14)15-11/h4,9H,2-3,5-8H2,1H3,(H2,14,15,16).
What are the key properties of 4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 277.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).