N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C16H17N3O2S — CID 2116537

IUPACN-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1ncnc2scc(-c3ccc(OC)cc3)c12
InChIInChI=1S/C16H17N3O2S/c1-20-8-7-17-15-14-13(9-22-16(14)19-10-18-15)11-3-5-12(21-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyHKSYUPGRFJUOPZ-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.43
Rot. Bonds6

About N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2116537) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2116537
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1ncnc2scc(-c3ccc(OC)cc3)c12
InChIInChI=1S/C16H17N3O2S/c1-20-8-7-17-15-14-13(9-22-16(14)19-10-18-15)11-3-5-12(21-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyHKSYUPGRFJUOPZ-UHFFFAOYSA-N
XLogP3.43
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.43
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

3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 28841900
5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 46347943
(2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine
CID 166304017
N-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009652
2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 2076539
(1R)-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 97318496
N-[(2,5-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 46347907
5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 46347959
N'-[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-N-naphthalen-1-ylethane-1,2-diamine
CID 28505101
N-[3-methoxy-2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 166381316
methyl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 4963724
1-(3-fluorophenyl)-N'-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylethane-1,2-diamine
CID 166186008

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 2116537) is N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is COCCNc1ncnc2scc(-c3ccc(OC)cc3)c12.
What is the InChIKey of N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HKSYUPGRFJUOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-20-8-7-17-15-14-13(9-22-16(14)19-10-18-15)11-3-5-12(21-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 315.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2116537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).