methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate

C13H18ClN3O2 — CID 80663871

IUPACmethyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2nc(C)cc(Cl)n2)CC1
InChIInChI=1S/C13H18ClN3O2/c1-9-7-11(14)16-12(15-9)8-17-5-3-10(4-6-17)13(18)19-2/h7,10H,3-6,8H2,1-2H3
InChIKeyOEVIMSUTZWSLQJ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.82
Rot. Bonds3

About methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate

methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate (PubChem CID 80663871) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
PubChem CID80663871
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Namemethyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2nc(C)cc(Cl)n2)CC1
InChIInChI=1S/C13H18ClN3O2/c1-9-7-11(14)16-12(15-9)8-17-5-3-10(4-6-17)13(18)19-2/h7,10H,3-6,8H2,1-2H3
InChIKeyOEVIMSUTZWSLQJ-UHFFFAOYSA-N
XLogP1.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
CID 80657136
methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate
CID 87174001
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine
CID 81460276
methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 114276570
4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine
CID 164662191
methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate
CID 78997161
4-chloro-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-6-methylpyrimidine
CID 80664010
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62025945
4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine
CID 80664820
methyl 1-(anthracen-9-ylmethyl)piperidine-4-carboxylate
CID 100969336
4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine
CID 131086620
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 80663533

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate (CID 80663871) is methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2nc(C)cc(Cl)n2)CC1.
What is the InChIKey of methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate?
The InChIKey is OEVIMSUTZWSLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9-7-11(14)16-12(15-9)8-17-5-3-10(4-6-17)13(18)19-2/h7,10H,3-6,8H2,1-2H3.
What are the key properties of methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate?
methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate has a molecular weight of 283.76 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 80663871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).