2-chloro-4-(3-methoxypropyl)pyrimidine

C8H11ClN2O — CID 150319393

IUPAC2-chloro-4-(3-methoxypropyl)pyrimidine
SMILESCOCCCc1ccnc(Cl)n1
InChIInChI=1S/C8H11ClN2O/c1-12-6-2-3-7-4-5-10-8(9)11-7/h4-5H,2-3,6H2,1H3
InChIKeyGNHKVPIOAIYFCQ-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.71
Rot. Bonds4

About 2-chloro-4-(3-methoxypropyl)pyrimidine

2-chloro-4-(3-methoxypropyl)pyrimidine (PubChem CID 150319393) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-chloro-4-(3-methoxypropyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-methoxypropyl)pyrimidine
PubChem CID150319393
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-chloro-4-(3-methoxypropyl)pyrimidine
SMILESCOCCCc1ccnc(Cl)n1
InChIInChI=1S/C8H11ClN2O/c1-12-6-2-3-7-4-5-10-8(9)11-7/h4-5H,2-3,6H2,1H3
InChIKeyGNHKVPIOAIYFCQ-UHFFFAOYSA-N
XLogP1.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-4-(3-methoxypropyl)pyrimidine?
The IUPAC name of 2-chloro-4-(3-methoxypropyl)pyrimidine (CID 150319393) is 2-chloro-4-(3-methoxypropyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(3-methoxypropyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(3-methoxypropyl)pyrimidine is COCCCc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(3-methoxypropyl)pyrimidine?
The InChIKey is GNHKVPIOAIYFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-12-6-2-3-7-4-5-10-8(9)11-7/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-chloro-4-(3-methoxypropyl)pyrimidine?
2-chloro-4-(3-methoxypropyl)pyrimidine has a molecular weight of 186.64 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methoxypropyl)pyrimidine is sourced from PubChem (CID 150319393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).