N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine

C13H20N4S — CID 63618416

IUPACN'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1ncnc2sc(C)cc12
InChIInChI=1S/C13H20N4S/c1-4-5-14-6-7-17(3)12-11-8-10(2)18-13(11)16-9-15-12/h8-9,14H,4-7H2,1-3H3
InChIKeyQUXPDDWLUCEYQA-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.44
Rot. Bonds6

About N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine

N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine (PubChem CID 63618416) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine
PubChem CID63618416
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1ncnc2sc(C)cc12
InChIInChI=1S/C13H20N4S/c1-4-5-14-6-7-17(3)12-11-8-10(2)18-13(11)16-9-15-12/h8-9,14H,4-7H2,1-3H3
InChIKeyQUXPDDWLUCEYQA-UHFFFAOYSA-N
XLogP2.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 63617064
3-[3-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoylamino]propanoic acid
CID 92943164
N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 2972044
N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 4060711
N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine
CID 62593023
2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848630
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 105368619
4-N,6-dimethyl-4-N-(2-methylsulfanylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329651
N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 112676470
N-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63618240
4-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324624
2-methyl-1-[methyl-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 103328875

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine (CID 63618416) is N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine is CCCNCCN(C)c1ncnc2sc(C)cc12.
What is the InChIKey of N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine?
The InChIKey is QUXPDDWLUCEYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-5-14-6-7-17(3)12-11-8-10(2)18-13(11)16-9-15-12/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine?
N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 63618416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).