N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C14H21N3O2S — CID 102686665

IUPACN-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCOCCOCCCCNc1ncnc2c(C)csc12
InChIInChI=1S/C14H21N3O2S/c1-11-9-20-13-12(11)16-10-17-14(13)15-5-3-4-6-19-8-7-18-2/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyXQUQEXMIUUHBMK-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.85
Rot. Bonds9

About N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686665) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686665
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCOCCOCCCCNc1ncnc2c(C)csc12
InChIInChI=1S/C14H21N3O2S/c1-11-9-20-13-12(11)16-10-17-14(13)15-5-3-4-6-19-8-7-18-2/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyXQUQEXMIUUHBMK-UHFFFAOYSA-N
XLogP2.85
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686687
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572
N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176
7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686662
N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686671
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 114146588
N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686940
7-methyl-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686243
N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide
CID 102686608
N-(2-cyclopropylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686678
N-butan-2-yl-3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propanamide
CID 102686318

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102686665) is N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is COCCOCCCCNc1ncnc2c(C)csc12.
What is the InChIKey of N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is XQUQEXMIUUHBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-11-9-20-13-12(11)16-10-17-14(13)15-5-3-4-6-19-8-7-18-2/h9-10H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 295.41 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).