4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

C12H18N4OS — CID 103326737

IUPAC4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCOCCCCNc1nc(N)nc2sc(C)cc12
InChIInChI=1S/C12H18N4OS/c1-8-7-9-10(14-5-3-4-6-17-2)15-12(13)16-11(9)18-8/h7H,3-6H2,1-2H3,(H3,13,14,15,16)
InChIKeyQJXCRAUJFRFZIE-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.42
Rot. Bonds6

About 4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103326737) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103326737
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCOCCCCNc1nc(N)nc2sc(C)cc12
InChIInChI=1S/C12H18N4OS/c1-8-7-9-10(14-5-3-4-6-17-2)15-12(13)16-11(9)18-8/h7H,3-6H2,1-2H3,(H3,13,14,15,16)
InChIKeyQJXCRAUJFRFZIE-UHFFFAOYSA-N
XLogP2.42
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329359
6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330600
4-N-(1-methoxy-2-methylpropan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330005
6-methyl-4-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325333
6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324377
6-methyl-4-N-(2-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325996
4-N-(2-ethoxypropyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330055
6-methyl-4-N-[(4-methylcyclohexyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327663
6-methyl-4-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325324
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
CID 103335234
N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103333491

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103326737) is 4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is COCCCCNc1nc(N)nc2sc(C)cc12.
What is the InChIKey of 4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QJXCRAUJFRFZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-7-9-10(14-5-3-4-6-17-2)15-12(13)16-11(9)18-8/h7H,3-6H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 266.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103326737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).