6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine

C17H26N4S — CID 133409616

IUPAC6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCCCN3CCC(C)CC3)ncnc2s1
InChIInChI=1S/C17H26N4S/c1-13-5-9-21(10-6-13)8-4-3-7-18-16-15-11-14(2)22-17(15)20-12-19-16/h11-13H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyBSEOTIHIDNTFED-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.92
Rot. Bonds6

About 6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine

6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133409616) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is 6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133409616
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCCCN3CCC(C)CC3)ncnc2s1
InChIInChI=1S/C17H26N4S/c1-13-5-9-21(10-6-13)8-4-3-7-18-16-15-11-14(2)22-17(15)20-12-19-16/h11-13H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyBSEOTIHIDNTFED-UHFFFAOYSA-N
XLogP3.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.92
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

6-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133409514
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 39082261
6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 2076558
N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 39085277
1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 82032755
6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133408683
6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 133407693
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 133408802
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine
CID 64588487
2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol
CID 28850882
N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane
CID 91532309

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine (CID 133409616) is 6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCCCCN3CCC(C)CC3)ncnc2s1.
What is the InChIKey of 6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BSEOTIHIDNTFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-13-5-9-21(10-6-13)8-4-3-7-18-16-15-11-14(2)22-17(15)20-12-19-16/h11-13H,3-10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine?
6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 318.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133409616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).