4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine

C13H21ClN2O — CID 116706142

IUPAC4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C(OC)C(C)(C)C)n1
InChIInChI=1S/C13H21ClN2O/c1-6-7-9-8-10(14)16-12(15-9)11(17-5)13(2,3)4/h8,11H,6-7H2,1-5H3
InChIKeyZRDFXSGHVNGTCB-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.82
Rot. Bonds4

About 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine

4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine (PubChem CID 116706142) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine
PubChem CID116706142
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C(OC)C(C)(C)C)n1
InChIInChI=1S/C13H21ClN2O/c1-6-7-9-8-10(14)16-12(15-9)11(17-5)13(2,3)4/h8,11H,6-7H2,1-5H3
InChIKeyZRDFXSGHVNGTCB-UHFFFAOYSA-N
XLogP3.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine (CID 116706142) is 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine is CCCc1cc(Cl)nc(C(OC)C(C)(C)C)n1.
What is the InChIKey of 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine?
The InChIKey is ZRDFXSGHVNGTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-6-7-9-8-10(14)16-12(15-9)11(17-5)13(2,3)4/h8,11H,6-7H2,1-5H3.
What are the key properties of 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine?
4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine has a molecular weight of 256.78 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine is sourced from PubChem (CID 116706142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).