2,5-dimethyl-4-pentan-3-yloxypyrimidine

C11H18N2O — CID 11535739

IUPAC2,5-dimethyl-4-pentan-3-yloxypyrimidine
SMILESCCC(CC)Oc1nc(C)ncc1C
InChIInChI=1S/C11H18N2O/c1-5-10(6-2)14-11-8(3)7-12-9(4)13-11/h7,10H,5-6H2,1-4H3
InChIKeyBRZTXZNTXYEJJA-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.66
Rot. Bonds4

About 2,5-dimethyl-4-pentan-3-yloxypyrimidine

2,5-dimethyl-4-pentan-3-yloxypyrimidine (PubChem CID 11535739) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,5-dimethyl-4-pentan-3-yloxypyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-4-pentan-3-yloxypyrimidine
PubChem CID11535739
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,5-dimethyl-4-pentan-3-yloxypyrimidine
SMILESCCC(CC)Oc1nc(C)ncc1C
InChIInChI=1S/C11H18N2O/c1-5-10(6-2)14-11-8(3)7-12-9(4)13-11/h7,10H,5-6H2,1-4H3
InChIKeyBRZTXZNTXYEJJA-UHFFFAOYSA-N
XLogP2.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-pentan-3-yloxypyrimidine?
The IUPAC name of 2,5-dimethyl-4-pentan-3-yloxypyrimidine (CID 11535739) is 2,5-dimethyl-4-pentan-3-yloxypyrimidine.
What is the SMILES notation for 2,5-dimethyl-4-pentan-3-yloxypyrimidine?
The canonical SMILES for 2,5-dimethyl-4-pentan-3-yloxypyrimidine is CCC(CC)Oc1nc(C)ncc1C.
What is the InChIKey of 2,5-dimethyl-4-pentan-3-yloxypyrimidine?
The InChIKey is BRZTXZNTXYEJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-10(6-2)14-11-8(3)7-12-9(4)13-11/h7,10H,5-6H2,1-4H3.
What are the key properties of 2,5-dimethyl-4-pentan-3-yloxypyrimidine?
2,5-dimethyl-4-pentan-3-yloxypyrimidine has a molecular weight of 194.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-pentan-3-yloxypyrimidine is sourced from PubChem (CID 11535739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).