N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine

C11H14ClN3OS — CID 55184952

IUPACN-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCOCC(Cl)CN(C)c1ncnc2ccsc12
InChIInChI=1S/C11H14ClN3OS/c1-15(5-8(12)6-16-2)11-10-9(3-4-17-10)13-7-14-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyZVZWLYUWILQDEI-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.38
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine

N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 55184952) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID55184952
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC NameN-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCOCC(Cl)CN(C)c1ncnc2ccsc12
InChIInChI=1S/C11H14ClN3OS/c1-15(5-8(12)6-16-2)11-10-9(3-4-17-10)13-7-14-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyZVZWLYUWILQDEI-UHFFFAOYSA-N
XLogP2.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine (CID 55184952) is N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine is COCC(Cl)CN(C)c1ncnc2ccsc12.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ZVZWLYUWILQDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c1-15(5-8(12)6-16-2)11-10-9(3-4-17-10)13-7-14-11/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine?
N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 271.77 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 55184952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).