2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine

C14H19ClN2OS — CID 103319793

IUPAC2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(OCCCC(C)C)nc(Cl)nc2s1
InChIInChI=1S/C14H19ClN2OS/c1-4-10-8-11-12(18-7-5-6-9(2)3)16-14(15)17-13(11)19-10/h8-9H,4-7H2,1-3H3
InChIKeyNUBLVPILXXQPRR-UHFFFAOYSA-N
MW298.84 g/mol
LogP4.72
Rot. Bonds6

About 2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine

2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine (PubChem CID 103319793) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine
PubChem CID103319793
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(OCCCC(C)C)nc(Cl)nc2s1
InChIInChI=1S/C14H19ClN2OS/c1-4-10-8-11-12(18-7-5-6-9(2)3)16-14(15)17-13(11)19-10/h8-9H,4-7H2,1-3H3
InChIKeyNUBLVPILXXQPRR-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
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 2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine (CID 103319793) is 2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine is CCc1cc2c(OCCCC(C)C)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine?
The InChIKey is NUBLVPILXXQPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-4-10-8-11-12(18-7-5-6-9(2)3)16-14(15)17-13(11)19-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine?
2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine has a molecular weight of 298.84 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103319793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).