4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine

C14H21ClN2O3 — CID 103177522

IUPAC4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine
SMILESCOCCCOCCOc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C14H21ClN2O3/c1-10-12(15)16-13(11-4-5-11)17-14(10)20-9-8-19-7-3-6-18-2/h11H,3-9H2,1-2H3
InChIKeyMRVZTNJHWLLHLB-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.75
Rot. Bonds9

About 4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine

4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine (PubChem CID 103177522) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine
PubChem CID103177522
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine
SMILESCOCCCOCCOc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C14H21ClN2O3/c1-10-12(15)16-13(11-4-5-11)17-14(10)20-9-8-19-7-3-6-18-2/h11H,3-9H2,1-2H3
InChIKeyMRVZTNJHWLLHLB-UHFFFAOYSA-N
XLogP2.75
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine (CID 103177522) is 4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine is COCCCOCCOc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine?
The InChIKey is MRVZTNJHWLLHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-10-12(15)16-13(11-4-5-11)17-14(10)20-9-8-19-7-3-6-18-2/h11H,3-9H2,1-2H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine?
4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine has a molecular weight of 300.79 g/mol, XLogP of 2.75, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine is sourced from PubChem (CID 103177522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).