4-(3-methoxypropyl)pyrimidine

C8H12N2O — CID 99991904

IUPAC4-(3-methoxypropyl)pyrimidine
SMILESCOCCCc1ccncn1
InChIInChI=1S/C8H12N2O/c1-11-6-2-3-8-4-5-9-7-10-8/h4-5,7H,2-3,6H2,1H3
InChIKeyBMELGYMVNGMQMK-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.06
Rot. Bonds4

About 4-(3-methoxypropyl)pyrimidine

4-(3-methoxypropyl)pyrimidine (PubChem CID 99991904) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-(3-methoxypropyl)pyrimidine.

Molecular Properties

Compound Name4-(3-methoxypropyl)pyrimidine
PubChem CID99991904
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-(3-methoxypropyl)pyrimidine
SMILESCOCCCc1ccncn1
InChIInChI=1S/C8H12N2O/c1-11-6-2-3-8-4-5-9-7-10-8/h4-5,7H,2-3,6H2,1H3
InChIKeyBMELGYMVNGMQMK-UHFFFAOYSA-N
XLogP1.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.06
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 4-(3-methoxypropyl)pyrimidine?
The IUPAC name of 4-(3-methoxypropyl)pyrimidine (CID 99991904) is 4-(3-methoxypropyl)pyrimidine.
What is the SMILES notation for 4-(3-methoxypropyl)pyrimidine?
The canonical SMILES for 4-(3-methoxypropyl)pyrimidine is COCCCc1ccncn1.
What is the InChIKey of 4-(3-methoxypropyl)pyrimidine?
The InChIKey is BMELGYMVNGMQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-11-6-2-3-8-4-5-9-7-10-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 4-(3-methoxypropyl)pyrimidine?
4-(3-methoxypropyl)pyrimidine has a molecular weight of 152.20 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)pyrimidine is sourced from PubChem (CID 99991904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).