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

C10H12ClN3OS — CID 65027338

IUPACN-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOCC(Cl)CNc1ncnc2ccsc12
InChIInChI=1S/C10H12ClN3OS/c1-15-5-7(11)4-12-10-9-8(2-3-16-9)13-6-14-10/h2-3,6-7H,4-5H2,1H3,(H,12,13,14)
InChIKeyDSYAREDCXHQHAF-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.36
Rot. Bonds5

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

N-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 65027338) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID65027338
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC NameN-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOCC(Cl)CNc1ncnc2ccsc12
InChIInChI=1S/C10H12ClN3OS/c1-15-5-7(11)4-12-10-9-8(2-3-16-9)13-6-14-10/h2-3,6-7H,4-5H2,1H3,(H,12,13,14)
InChIKeyDSYAREDCXHQHAF-UHFFFAOYSA-N
XLogP2.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.36
H-Bond Donors ≤ 51
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)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine (CID 65027338) is N-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine is COCC(Cl)CNc1ncnc2ccsc12.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DSYAREDCXHQHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-15-5-7(11)4-12-10-9-8(2-3-16-9)13-6-14-10/h2-3,6-7H,4-5H2,1H3,(H,12,13,14).
What are the key properties of N-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine?
N-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 257.75 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 65027338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).