N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine

C15H22N4S2 — CID 103328077

IUPACN,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(N2CCSCC2C)c2cc(CC)sc2n1
InChIInChI=1S/C15H22N4S2/c1-4-11-8-12-13(19-6-7-20-9-10(19)3)17-15(16-5-2)18-14(12)21-11/h8,10H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyWDUXWKOVKKJCPE-UHFFFAOYSA-N
MW322.50 g/mol
LogP3.63
Rot. Bonds4

About N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine

N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103328077) has the molecular formula C15H22N4S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103328077
Molecular FormulaC15H22N4S2
Molecular Weight322.50 g/mol
Exact Mass322.13
IUPAC NameN,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(N2CCSCC2C)c2cc(CC)sc2n1
InChIInChI=1S/C15H22N4S2/c1-4-11-8-12-13(19-6-7-20-9-10(19)3)17-15(16-5-2)18-14(12)21-11/h8,10H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyWDUXWKOVKKJCPE-UHFFFAOYSA-N
XLogP3.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103328077) is N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine is CCNc1nc(N2CCSCC2C)c2cc(CC)sc2n1.
What is the InChIKey of N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is WDUXWKOVKKJCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S2/c1-4-11-8-12-13(19-6-7-20-9-10(19)3)17-15(16-5-2)18-14(12)21-11/h8,10H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine?
N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 322.50 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103328077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).