2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine

C10H11Cl2N3O — CID 134607182

IUPAC2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine
SMILESCOCCCn1ccc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C10H11Cl2N3O/c1-16-6-2-4-15-5-3-7-8(15)9(11)14-10(12)13-7/h3,5H,2,4,6H2,1H3
InChIKeySQVYLZWUDUDWQN-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.77
Rot. Bonds4

About 2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine

2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine (PubChem CID 134607182) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is 2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine
PubChem CID134607182
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine
SMILESCOCCCn1ccc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C10H11Cl2N3O/c1-16-6-2-4-15-5-3-7-8(15)9(11)14-10(12)13-7/h3,5H,2,4,6H2,1H3
InChIKeySQVYLZWUDUDWQN-UHFFFAOYSA-N
XLogP2.77
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.77
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 2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine (CID 134607182) is 2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine is COCCCn1ccc2nc(Cl)nc(Cl)c21.
What is the InChIKey of 2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine?
The InChIKey is SQVYLZWUDUDWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O/c1-16-6-2-4-15-5-3-7-8(15)9(11)14-10(12)13-7/h3,5H,2,4,6H2,1H3.
What are the key properties of 2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine?
2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine has a molecular weight of 260.12 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(3-methoxypropyl)pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 134607182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).