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

C15H22N4S2 — CID 106445673

IUPACN,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C2CSCCN2C)nc2sc(CC)cc12
InChIInChI=1S/C15H22N4S2/c1-4-10-8-11-13(16-5-2)17-14(18-15(11)21-10)12-9-20-7-6-19(12)3/h8,12H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyMNZRQFOMUCSRNO-UHFFFAOYSA-N
MW322.50 g/mol
LogP3.41
Rot. Bonds4

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

N,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 106445673) has the molecular formula C15H22N4S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID106445673
Molecular FormulaC15H22N4S2
Molecular Weight322.50 g/mol
Exact Mass322.13
IUPAC NameN,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C2CSCCN2C)nc2sc(CC)cc12
InChIInChI=1S/C15H22N4S2/c1-4-10-8-11-13(16-5-2)17-14(18-15(11)21-10)12-9-20-7-6-19(12)3/h8,12H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyMNZRQFOMUCSRNO-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 106445673) is N,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(C2CSCCN2C)nc2sc(CC)cc12.
What is the InChIKey of N,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MNZRQFOMUCSRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S2/c1-4-10-8-11-13(16-5-2)17-14(18-15(11)21-10)12-9-20-7-6-19(12)3/h8,12H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of N,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
N,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 322.50 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106445673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).