N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C15H16N4S — CID 102686965

IUPACN-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NC(C)c3ccc(N)cc3)ncnc12
InChIInChI=1S/C15H16N4S/c1-9-7-20-14-13(9)17-8-18-15(14)19-10(2)11-3-5-12(16)6-4-11/h3-8,10H,16H2,1-2H3,(H,17,18,19)
InChIKeyQCPKQCSXSSFRJG-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.76
Rot. Bonds3

About N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686965) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686965
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NC(C)c3ccc(N)cc3)ncnc12
InChIInChI=1S/C15H16N4S/c1-9-7-20-14-13(9)17-8-18-15(14)19-10(2)11-3-5-12(16)6-4-11/h3-8,10H,16H2,1-2H3,(H,17,18,19)
InChIKeyQCPKQCSXSSFRJG-UHFFFAOYSA-N
XLogP3.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686398
N-[1-(4-fluorophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686383
N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686565
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686571
7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686212
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 102686545
N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460392
N-methyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propanamide
CID 102686363
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 102686263
2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102687370
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline
CID 102686745

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102686965) is N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NC(C)c3ccc(N)cc3)ncnc12.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is QCPKQCSXSSFRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-9-7-20-14-13(9)17-8-18-15(14)19-10(2)11-3-5-12(16)6-4-11/h3-8,10H,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 284.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).