N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine

C18H22N4OS — CID 28853164

IUPACN'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
SMILESCCOc1ccc(-c2csc3nc(C)nc(NCCCN)c23)cc1
InChIInChI=1S/C18H22N4OS/c1-3-23-14-7-5-13(6-8-14)15-11-24-18-16(15)17(20-10-4-9-19)21-12(2)22-18/h5-8,11H,3-4,9-10,19H2,1-2H3,(H,20,21,22)
InChIKeyUHZLOZAMJNLZQW-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.83
Rot. Bonds7

About N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine

N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine (PubChem CID 28853164) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
PubChem CID28853164
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
SMILESCCOc1ccc(-c2csc3nc(C)nc(NCCCN)c23)cc1
InChIInChI=1S/C18H22N4OS/c1-3-23-14-7-5-13(6-8-14)15-11-24-18-16(15)17(20-10-4-9-19)21-12(2)22-18/h5-8,11H,3-4,9-10,19H2,1-2H3,(H,20,21,22)
InChIKeyUHZLOZAMJNLZQW-UHFFFAOYSA-N
XLogP3.83
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.83
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

N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 28852901
N'-[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-N-naphthalen-1-ylethane-1,2-diamine
CID 28505101
N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 28850288
2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9280306
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133433969
N-(2,4-dimethylphenyl)-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011311
N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191629
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7636559
5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 46347943
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635991
N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2116537
(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
CID 9311855

Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine?
The IUPAC name of N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine (CID 28853164) is N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine?
The canonical SMILES for N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine is CCOc1ccc(-c2csc3nc(C)nc(NCCCN)c23)cc1.
What is the InChIKey of N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine?
The InChIKey is UHZLOZAMJNLZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-3-23-14-7-5-13(6-8-14)15-11-24-18-16(15)17(20-10-4-9-19)21-12(2)22-18/h5-8,11H,3-4,9-10,19H2,1-2H3,(H,20,21,22).
What are the key properties of N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine?
N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine has a molecular weight of 342.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 28853164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).