2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine

C14H22ClN3O — CID 114682612

IUPAC2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine
SMILESCc1cc(OC(C)C)nc(N2CCC(Cl)C(C)C2)n1
InChIInChI=1S/C14H22ClN3O/c1-9(2)19-13-7-11(4)16-14(17-13)18-6-5-12(15)10(3)8-18/h7,9-10,12H,5-6,8H2,1-4H3
InChIKeyQEKWBDYWNMWRAA-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.03
Rot. Bonds3

About 2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine

2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine (PubChem CID 114682612) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine
PubChem CID114682612
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine
SMILESCc1cc(OC(C)C)nc(N2CCC(Cl)C(C)C2)n1
InChIInChI=1S/C14H22ClN3O/c1-9(2)19-13-7-11(4)16-14(17-13)18-6-5-12(15)10(3)8-18/h7,9-10,12H,5-6,8H2,1-4H3
InChIKeyQEKWBDYWNMWRAA-UHFFFAOYSA-N
XLogP3.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.03
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

3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115973583
methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate
CID 115973681
2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine
CID 115973290
2-[4-(1-bromoethyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
CID 106838651
[4-methyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 107160311
4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
CID 112635446
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894
2-[4-(1-chloroethyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 106838422
2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine
CID 63391936
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine
CID 115973852
[4-methyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-2-yl]methanamine
CID 115973553
N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 114504765

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine?
The IUPAC name of 2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine (CID 114682612) is 2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine.
What is the SMILES notation for 2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine?
The canonical SMILES for 2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine is Cc1cc(OC(C)C)nc(N2CCC(Cl)C(C)C2)n1.
What is the InChIKey of 2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine?
The InChIKey is QEKWBDYWNMWRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-9(2)19-13-7-11(4)16-14(17-13)18-6-5-12(15)10(3)8-18/h7,9-10,12H,5-6,8H2,1-4H3.
What are the key properties of 2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine?
2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine has a molecular weight of 283.80 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 114682612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).