4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine

C11H16ClN3O — CID 114682611

IUPAC4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine
SMILESCOc1cc(N2CCC(Cl)C(C)C2)ncn1
InChIInChI=1S/C11H16ClN3O/c1-8-6-15(4-3-9(8)12)10-5-11(16-2)14-7-13-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeyQIYLOGBCTNLXLF-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.94
Rot. Bonds2

About 4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine

4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine (PubChem CID 114682611) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine.

Molecular Properties

Compound Name4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine
PubChem CID114682611
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine
SMILESCOc1cc(N2CCC(Cl)C(C)C2)ncn1
InChIInChI=1S/C11H16ClN3O/c1-8-6-15(4-3-9(8)12)10-5-11(16-2)14-7-13-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeyQIYLOGBCTNLXLF-UHFFFAOYSA-N
XLogP1.94
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-3-methylpiperidin-1-yl)-6-methylsulfanylpyrimidine
CID 106973827
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976631
4-(3-chloro-4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine
CID 102960858
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol
CID 172899245
4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine
CID 102960739
N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 171993839
1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 86797858
tert-butyl (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 86331449
tert-butyl 4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 66569758
1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171700843
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine?
The IUPAC name of 4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine (CID 114682611) is 4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine.
What is the SMILES notation for 4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine?
The canonical SMILES for 4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine is COc1cc(N2CCC(Cl)C(C)C2)ncn1.
What is the InChIKey of 4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine?
The InChIKey is QIYLOGBCTNLXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-6-15(4-3-9(8)12)10-5-11(16-2)14-7-13-10/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine?
4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine has a molecular weight of 241.72 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine is sourced from PubChem (CID 114682611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).