N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C14H23N5S — CID 102996867

IUPACN'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)Cc1nc(N)c2ccsc2n1
InChIInChI=1S/C14H23N5S/c1-4-19(8-5-7-18(2)3)10-12-16-13(15)11-6-9-20-14(11)17-12/h6,9H,4-5,7-8,10H2,1-3H3,(H2,15,16,17)
InChIKeyZXODDDCRGTYEMC-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.05
Rot. Bonds7

About N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102996867) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102996867
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC NameN'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)Cc1nc(N)c2ccsc2n1
InChIInChI=1S/C14H23N5S/c1-4-19(8-5-7-18(2)3)10-12-16-13(15)11-6-9-20-14(11)17-12/h6,9H,4-5,7-8,10H2,1-3H3,(H2,15,16,17)
InChIKeyZXODDDCRGTYEMC-UHFFFAOYSA-N
XLogP2.05
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102996867) is N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)Cc1nc(N)c2ccsc2n1.
What is the InChIKey of N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is ZXODDDCRGTYEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-4-19(8-5-7-18(2)3)10-12-16-13(15)11-6-9-20-14(11)17-12/h6,9H,4-5,7-8,10H2,1-3H3,(H2,15,16,17).
What are the key properties of N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 293.44 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102996867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).