5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine

C14H21N3OS — CID 55044935

IUPAC5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCOCc1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C14H21N3OS/c1-4-5-6-7-18-8-11-16-13(15)12-9(2)10(3)19-14(12)17-11/h4-8H2,1-3H3,(H2,15,16,17)
InChIKeyYEJQWHOVSYJMCH-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.60
Rot. Bonds6

About 5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 55044935) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID55044935
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCOCc1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C14H21N3OS/c1-4-5-6-7-18-8-11-16-13(15)12-9(2)10(3)19-14(12)17-11/h4-8H2,1-3H3,(H2,15,16,17)
InChIKeyYEJQWHOVSYJMCH-UHFFFAOYSA-N
XLogP3.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.60
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

4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine
CID 43275113
2-(butoxymethyl)-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43267662
2-(butylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60701127
2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9115252
2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62193252
5,6-dimethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 61026333
2-hexylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4255605
4-chloro-5,6-dimethyl-2-(pent-4-enoxymethyl)thieno[2,3-d]pyrimidine
CID 79114375
2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62193496
2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62193550
2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60707023
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol
CID 43502532

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine (CID 55044935) is 5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine is CCCCCOCc1nc(N)c2c(C)c(C)sc2n1.
What is the InChIKey of 5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YEJQWHOVSYJMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-5-6-7-18-8-11-16-13(15)12-9(2)10(3)19-14(12)17-11/h4-8H2,1-3H3,(H2,15,16,17).
What are the key properties of 5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55044935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).