6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile

C11H15N3O2 — CID 107545618

IUPAC6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(OCCOC(C)C)n1
InChIInChI=1S/C11H15N3O2/c1-8(2)15-4-5-16-11-13-9(3)6-10(7-12)14-11/h6,8H,4-5H2,1-3H3
InChIKeyLFQXFRPTLYUMGD-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.46
Rot. Bonds5

About 6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile

6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile (PubChem CID 107545618) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile
PubChem CID107545618
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(OCCOC(C)C)n1
InChIInChI=1S/C11H15N3O2/c1-8(2)15-4-5-16-11-13-9(3)6-10(7-12)14-11/h6,8H,4-5H2,1-3H3
InChIKeyLFQXFRPTLYUMGD-UHFFFAOYSA-N
XLogP1.46
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.46
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 6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile (CID 107545618) is 6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(OCCOC(C)C)n1.
What is the InChIKey of 6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile?
The InChIKey is LFQXFRPTLYUMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(2)15-4-5-16-11-13-9(3)6-10(7-12)14-11/h6,8H,4-5H2,1-3H3.
What are the key properties of 6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile?
6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).