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

C14H21N3OS — CID 102686687

IUPACN-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCCOCCCNc1ncnc2c(C)csc12
InChIInChI=1S/C14H21N3OS/c1-3-4-7-18-8-5-6-15-14-13-12(16-10-17-14)11(2)9-19-13/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyICODEYXYNWTLDX-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.62
Rot. Bonds8

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

N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686687) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686687
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCCOCCCNc1ncnc2c(C)csc12
InChIInChI=1S/C14H21N3OS/c1-3-4-7-18-8-5-6-15-14-13-12(16-10-17-14)11(2)9-19-13/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyICODEYXYNWTLDX-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.62
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-[4-(2-methoxyethoxy)butyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686665
N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572
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
7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686676
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
7-methyl-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686243
N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686940
7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686212
N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 114164376
N-(2-cyclopropylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686678

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102686687) is N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine is CCCCOCCCNc1ncnc2c(C)csc12.
What is the InChIKey of N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ICODEYXYNWTLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-3-4-7-18-8-5-6-15-14-13-12(16-10-17-14)11(2)9-19-13/h9-10H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).