2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine

C14H22ClN3O — CID 112748216

IUPAC2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
SMILESCOc1cc(C)nc(N2CCCCC2CC(C)Cl)n1
InChIInChI=1S/C14H22ClN3O/c1-10(15)8-12-6-4-5-7-18(12)14-16-11(2)9-13(17-14)19-3/h9-10,12H,4-8H2,1-3H3
InChIKeyBCVSJESPYHTGCJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.17
Rot. Bonds4

About 2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine

2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine (PubChem CID 112748216) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine.

Molecular Properties

Compound Name2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
PubChem CID112748216
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
SMILESCOc1cc(C)nc(N2CCCCC2CC(C)Cl)n1
InChIInChI=1S/C14H22ClN3O/c1-10(15)8-12-6-4-5-7-18(12)14-16-11(2)9-13(17-14)19-3/h9-10,12H,4-8H2,1-3H3
InChIKeyBCVSJESPYHTGCJ-UHFFFAOYSA-N
XLogP3.17
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.17
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

N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine
CID 115973799
1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 112635132
2-[2-(bromomethyl)piperidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635723
2-[2-(2-chloroethyl)piperidin-1-yl]-4-methyl-6-propoxypyrimidine
CID 115973842
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine
CID 115973852
cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129491924
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde
CID 113293059
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid
CID 115972951
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635563
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
4-[2-(chloromethyl)piperidin-1-yl]-6-methoxy-2-methylpyrimidine
CID 66331673

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine?
The IUPAC name of 2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine (CID 112748216) is 2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine.
What is the SMILES notation for 2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine?
The canonical SMILES for 2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine is COc1cc(C)nc(N2CCCCC2CC(C)Cl)n1.
What is the InChIKey of 2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine?
The InChIKey is BCVSJESPYHTGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(15)8-12-6-4-5-7-18(12)14-16-11(2)9-13(17-14)19-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine?
2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine has a molecular weight of 283.80 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine is sourced from PubChem (CID 112748216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).