1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine

C10H14N4S — CID 63761550

IUPAC1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine
SMILESCC(N)CN(C)c1ncnc2ccsc12
InChIInChI=1S/C10H14N4S/c1-7(11)5-14(2)10-9-8(3-4-15-9)12-6-13-10/h3-4,6-7H,5,11H2,1-2H3
InChIKeyKGIMLYOHJMRDPF-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.47
Rot. Bonds3

About 1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine

1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine (PubChem CID 63761550) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine
PubChem CID63761550
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine
SMILESCC(N)CN(C)c1ncnc2ccsc12
InChIInChI=1S/C10H14N4S/c1-7(11)5-14(2)10-9-8(3-4-15-9)12-6-13-10/h3-4,6-7H,5,11H2,1-2H3
InChIKeyKGIMLYOHJMRDPF-UHFFFAOYSA-N
XLogP1.47
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine (CID 63761550) is 1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine is CC(N)CN(C)c1ncnc2ccsc12.
What is the InChIKey of 1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine?
The InChIKey is KGIMLYOHJMRDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-7(11)5-14(2)10-9-8(3-4-15-9)12-6-13-10/h3-4,6-7H,5,11H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine?
1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine has a molecular weight of 222.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine is sourced from PubChem (CID 63761550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).