N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride

C11H16ClN3S — CID 2972044

IUPACN,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCCN(CC)c1ncnc2sc(C)cc12.Cl
InChIInChI=1S/C11H15N3S.ClH/c1-4-14(5-2)10-9-6-8(3)15-11(9)13-7-12-10;/h6-7H,4-5H2,1-3H3;1H
InChIKeyAUUDLOFYLKJILK-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.27
Rot. Bonds3

About N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride

N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 2972044) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID2972044
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC NameN,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCCN(CC)c1ncnc2sc(C)cc12.Cl
InChIInChI=1S/C11H15N3S.ClH/c1-4-14(5-2)10-9-6-8(3)15-11(9)13-7-12-10;/h6-7H,4-5H2,1-3H3;1H
InChIKeyAUUDLOFYLKJILK-UHFFFAOYSA-N
XLogP3.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride (CID 2972044) is N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride is CCN(CC)c1ncnc2sc(C)cc12.Cl.
What is the InChIKey of N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is AUUDLOFYLKJILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S.ClH/c1-4-14(5-2)10-9-6-8(3)15-11(9)13-7-12-10;/h6-7H,4-5H2,1-3H3;1H.
What are the key properties of N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 257.79 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 2972044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).