2-butoxy-6-methylpyrimidine-4-carbonitrile

C10H13N3O — CID 107545811

IUPAC2-butoxy-6-methylpyrimidine-4-carbonitrile
SMILESCCCCOc1nc(C)cc(C#N)n1
InChIInChI=1S/C10H13N3O/c1-3-4-5-14-10-12-8(2)6-9(7-11)13-10/h6H,3-5H2,1-2H3
InChIKeyHXDNABROVQXWLI-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.84
Rot. Bonds4

About 2-butoxy-6-methylpyrimidine-4-carbonitrile

2-butoxy-6-methylpyrimidine-4-carbonitrile (PubChem CID 107545811) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-butoxy-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-butoxy-6-methylpyrimidine-4-carbonitrile
PubChem CID107545811
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-butoxy-6-methylpyrimidine-4-carbonitrile
SMILESCCCCOc1nc(C)cc(C#N)n1
InChIInChI=1S/C10H13N3O/c1-3-4-5-14-10-12-8(2)6-9(7-11)13-10/h6H,3-5H2,1-2H3
InChIKeyHXDNABROVQXWLI-UHFFFAOYSA-N
XLogP1.84
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-pentoxypyrimidine-4-carbonitrile
CID 107545813
2-[2-(ethylamino)ethoxy]-6-methylpyrimidine-4-carbonitrile
CID 107553095
6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile
CID 107545618
2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545986
6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile
CID 107546085
2-hexoxypyrimidine-4-carbonitrile
CID 107545762
6-methyl-2-propylsulfanylpyrimidine-4-carbonitrile
CID 107551361
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile
CID 107546090
2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544876
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbonitrile
CID 107545023
2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile
CID 107545800

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-butoxy-6-methylpyrimidine-4-carbonitrile (CID 107545811) is 2-butoxy-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-butoxy-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-butoxy-6-methylpyrimidine-4-carbonitrile is CCCCOc1nc(C)cc(C#N)n1.
What is the InChIKey of 2-butoxy-6-methylpyrimidine-4-carbonitrile?
The InChIKey is HXDNABROVQXWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-4-5-14-10-12-8(2)6-9(7-11)13-10/h6H,3-5H2,1-2H3.
What are the key properties of 2-butoxy-6-methylpyrimidine-4-carbonitrile?
2-butoxy-6-methylpyrimidine-4-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107545811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).