4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine

C14H23N3O — CID 142664562

IUPAC4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
SMILESCc1cc(OCCCCN2CCCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-13-11-14(16-12-15-13)18-10-6-5-9-17-7-3-2-4-8-17/h11-12H,2-10H2,1H3
InChIKeyKMROKCGWLDIBAG-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.43
Rot. Bonds6

About 4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine

4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine (PubChem CID 142664562) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
PubChem CID142664562
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
SMILESCc1cc(OCCCCN2CCCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-13-11-14(16-12-15-13)18-10-6-5-9-17-7-3-2-4-8-17/h11-12H,2-10H2,1H3
InChIKeyKMROKCGWLDIBAG-UHFFFAOYSA-N
XLogP2.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.43
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

4-chloro-6-(2-piperidin-1-ylethoxy)pyrimidine
CID 61277940
2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride
CID 142664558
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71711401
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722
1-[4-(2,3,6-trimethylphenoxy)butyl]piperidine
CID 2262772
4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 115975022
ethyl 3-(3-piperidin-1-ylpropoxy)-1H-pyrazole-5-carboxylate
CID 68993564
4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
CID 21256782
N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine
CID 62348764
2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine
CID 71712215
N,4-dimethyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-amine
CID 80871543

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine?
The IUPAC name of 4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine (CID 142664562) is 4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine.
What is the SMILES notation for 4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine?
The canonical SMILES for 4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine is Cc1cc(OCCCCN2CCCCC2)ncn1.
What is the InChIKey of 4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine?
The InChIKey is KMROKCGWLDIBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-13-11-14(16-12-15-13)18-10-6-5-9-17-7-3-2-4-8-17/h11-12H,2-10H2,1H3.
What are the key properties of 4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine?
4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine has a molecular weight of 249.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine is sourced from PubChem (CID 142664562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).