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

C16H24N4S — CID 51890557

IUPACN'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine
SMILESCN(CCCNc1ncnc2ccsc12)C1CCCCC1
InChIInChI=1S/C16H24N4S/c1-20(13-6-3-2-4-7-13)10-5-9-17-16-15-14(8-11-21-15)18-12-19-16/h8,11-13H,2-7,9-10H2,1H3,(H,17,18,19)
InChIKeyPEQGHVDHZASWOH-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.76
Rot. Bonds6

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

N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine (PubChem CID 51890557) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine
PubChem CID51890557
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine
SMILESCN(CCCNc1ncnc2ccsc12)C1CCCCC1
InChIInChI=1S/C16H24N4S/c1-20(13-6-3-2-4-7-13)10-5-9-17-16-15-14(8-11-21-15)18-12-19-16/h8,11-13H,2-7,9-10H2,1H3,(H,17,18,19)
InChIKeyPEQGHVDHZASWOH-UHFFFAOYSA-N
XLogP3.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine (CID 51890557) is N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine is CN(CCCNc1ncnc2ccsc12)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine?
The InChIKey is PEQGHVDHZASWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-20(13-6-3-2-4-7-13)10-5-9-17-16-15-14(8-11-21-15)18-12-19-16/h8,11-13H,2-7,9-10H2,1H3,(H,17,18,19).
What are the key properties of N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 51890557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).