4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine

C14H19ClN2OS — CID 43275113

IUPAC4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine
SMILESCCCCCOCc1nc(Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C14H19ClN2OS/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
InChIKeyPHZCUVBOTQDFCB-UHFFFAOYSA-N
MW298.84 g/mol
LogP4.67
Rot. Bonds6

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

4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine (PubChem CID 43275113) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine
PubChem CID43275113
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine
SMILESCCCCCOCc1nc(Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C14H19ClN2OS/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
InChIKeyPHZCUVBOTQDFCB-UHFFFAOYSA-N
XLogP4.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine (CID 43275113) is 4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine is CCCCCOCc1nc(Cl)c2c(C)c(C)sc2n1.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine?
The InChIKey is PHZCUVBOTQDFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/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.
What are the key properties of 4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine?
4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine has a molecular weight of 298.84 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 43275113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).