4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine

C15H21ClN2O — CID 55228896

IUPAC4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1OCC1CC=CCC1C
InChIInChI=1S/C15H21ClN2O/c1-10(2)13-14(16)17-9-18-15(13)19-8-12-7-5-4-6-11(12)3/h4-5,9-12H,6-8H2,1-3H3
InChIKeyDGVFWYNBAQJTNX-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.23
Rot. Bonds4

About 4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine

4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine (PubChem CID 55228896) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine
PubChem CID55228896
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1OCC1CC=CCC1C
InChIInChI=1S/C15H21ClN2O/c1-10(2)13-14(16)17-9-18-15(13)19-8-12-7-5-4-6-11(12)3/h4-5,9-12H,6-8H2,1-3H3
InChIKeyDGVFWYNBAQJTNX-UHFFFAOYSA-N
XLogP4.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine (CID 55228896) is 4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)ncnc1OCC1CC=CCC1C.
What is the InChIKey of 4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine?
The InChIKey is DGVFWYNBAQJTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10(2)13-14(16)17-9-18-15(13)19-8-12-7-5-4-6-11(12)3/h4-5,9-12H,6-8H2,1-3H3.
What are the key properties of 4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine?
4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine has a molecular weight of 280.80 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-propan-2-ylpyrimidine is sourced from PubChem (CID 55228896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).