methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate

C11H15ClN4O2 — CID 114049878

IUPACmethyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ncnc(N)c2Cl)C1
InChIInChI=1S/C11H15ClN4O2/c1-18-11(17)7-3-2-4-16(5-7)10-8(12)9(13)14-6-15-10/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKeyVNUKRHRZLXGWTI-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.10
Rot. Bonds2

About methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate

methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate (PubChem CID 114049878) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate
PubChem CID114049878
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Namemethyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ncnc(N)c2Cl)C1
InChIInChI=1S/C11H15ClN4O2/c1-18-11(17)7-3-2-4-16(5-7)10-8(12)9(13)14-6-15-10/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKeyVNUKRHRZLXGWTI-UHFFFAOYSA-N
XLogP1.10
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 106812000
methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 105370413
methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
CID 103880059
methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 78920258
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
methyl 1-(3-chloro-4-pyridinyl)piperidine-3-carboxylate
CID 115538455
ethyl 1-[5-amino-6-(2,3-dichloroanilino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142235
methyl 1-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
CID 108773360
5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106812346
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419
methyl 1-[5-(3,5-dimethylpiperidin-1-yl)quinazolin-4-yl]piperidine-3-carboxylate
CID 134211180
ethyl 1-[5-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19135200

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate (CID 114049878) is methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2ncnc(N)c2Cl)C1.
What is the InChIKey of methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate?
The InChIKey is VNUKRHRZLXGWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-18-11(17)7-3-2-4-16(5-7)10-8(12)9(13)14-6-15-10/h6-7H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate?
methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate has a molecular weight of 270.72 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 114049878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).