2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine

C16H27N3 — CID 145141912

IUPAC2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine
SMILESCCCCCCCCc1cc(C)nc(N2CCC2)n1
InChIInChI=1S/C16H27N3/c1-3-4-5-6-7-8-10-15-13-14(2)17-16(18-15)19-11-9-12-19/h13H,3-12H2,1-2H3
InChIKeyQVLSUWKYKHVDKT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.90
Rot. Bonds8

About 2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine

2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine (PubChem CID 145141912) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine
PubChem CID145141912
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine
SMILESCCCCCCCCc1cc(C)nc(N2CCC2)n1
InChIInChI=1S/C16H27N3/c1-3-4-5-6-7-8-10-15-13-14(2)17-16(18-15)19-11-9-12-19/h13H,3-12H2,1-2H3
InChIKeyQVLSUWKYKHVDKT-UHFFFAOYSA-N
XLogP3.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022940
4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 62745550
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114190
1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 62745059
1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine
CID 55114152
2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride
CID 82022831
4-methyl-2,6-dioctylpyridine
CID 66935754
4,6-didodecyl-2-methylpyrimidine
CID 66935955
2,4-bis(azetidin-1-yl)-6-hexadecylpyrimidin-5-ol;2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol;2,4-bis(azetidin-1-yl)-6-tetradecylpyrimidin-5-ol
CID 167581523
2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine
CID 134284549

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine?
The IUPAC name of 2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine (CID 145141912) is 2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine.
What is the SMILES notation for 2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine?
The canonical SMILES for 2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine is CCCCCCCCc1cc(C)nc(N2CCC2)n1.
What is the InChIKey of 2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine?
The InChIKey is QVLSUWKYKHVDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-4-5-6-7-8-10-15-13-14(2)17-16(18-15)19-11-9-12-19/h13H,3-12H2,1-2H3.
What are the key properties of 2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine?
2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine has a molecular weight of 261.41 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine is sourced from PubChem (CID 145141912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).