6-methyl-2-pentoxypyrimidine-4-carbonitrile

C11H15N3O — CID 107545813

IUPAC6-methyl-2-pentoxypyrimidine-4-carbonitrile
SMILESCCCCCOc1nc(C)cc(C#N)n1
InChIInChI=1S/C11H15N3O/c1-3-4-5-6-15-11-13-9(2)7-10(8-12)14-11/h7H,3-6H2,1-2H3
InChIKeySFSMDEIPPGLGLP-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.23
Rot. Bonds5

About 6-methyl-2-pentoxypyrimidine-4-carbonitrile

6-methyl-2-pentoxypyrimidine-4-carbonitrile (PubChem CID 107545813) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-methyl-2-pentoxypyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-pentoxypyrimidine-4-carbonitrile
PubChem CID107545813
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-methyl-2-pentoxypyrimidine-4-carbonitrile
SMILESCCCCCOc1nc(C)cc(C#N)n1
InChIInChI=1S/C11H15N3O/c1-3-4-5-6-15-11-13-9(2)7-10(8-12)14-11/h7H,3-6H2,1-2H3
InChIKeySFSMDEIPPGLGLP-UHFFFAOYSA-N
XLogP2.23
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.23
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

2-butoxy-6-methylpyrimidine-4-carbonitrile
CID 107545811
2-[2-(ethylamino)ethoxy]-6-methylpyrimidine-4-carbonitrile
CID 107553095
6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile
CID 107545618
2-hexoxypyrimidine-4-carbonitrile
CID 107545762
6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile
CID 107546085
2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545986
2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544876
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
6-methyl-2-propylsulfanylpyrimidine-4-carbonitrile
CID 107551361
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile
CID 107546090
1-(4,6-dimethyl-2-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296147
6-pentoxypyridine-2-carbonitrile
CID 64594194

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pentoxypyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-pentoxypyrimidine-4-carbonitrile (CID 107545813) is 6-methyl-2-pentoxypyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-pentoxypyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-pentoxypyrimidine-4-carbonitrile is CCCCCOc1nc(C)cc(C#N)n1.
What is the InChIKey of 6-methyl-2-pentoxypyrimidine-4-carbonitrile?
The InChIKey is SFSMDEIPPGLGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-4-5-6-15-11-13-9(2)7-10(8-12)14-11/h7H,3-6H2,1-2H3.
What are the key properties of 6-methyl-2-pentoxypyrimidine-4-carbonitrile?
6-methyl-2-pentoxypyrimidine-4-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pentoxypyrimidine-4-carbonitrile is sourced from PubChem (CID 107545813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).