methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate

C11H15ClN4O2 — CID 1481815

IUPACmethyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C11H15ClN4O2/c1-18-10(17)7-2-4-16(5-3-7)9-6-8(12)14-11(13)15-9/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKeyATFYGPORNCPDNP-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.10
Rot. Bonds2

About methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate

methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 1481815) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID1481815
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Namemethyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C11H15ClN4O2/c1-18-10(17)7-2-4-16(5-3-7)9-6-8(12)14-11(13)15-9/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKeyATFYGPORNCPDNP-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

1-(2-Amino-6-chloro-4-pyrimidinyl)-4-piperidinecarboxamide
CID 1484522
Methyl 1-(6-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 122238884
Methyl 1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carboxylate
CID 162376347
1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106766914
4-Chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine
CID 106767862
Methyl 1-[2-amino-6-(butylamino)pyrimidin-4-yl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 166435680
Ethyl 1-(6-chloropyrimidin-4-yl)piperidine-4-carboxylate
CID 18697971
Methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate
CID 22308323
Methyl 1-(6-chloropyrimidin-4-yl)piperidine-4-carboxylate
CID 22309534
Ethyl 1-(6-chloro-4-pyrimidinyl)-4-piperidinepropanoate
CID 23062686
4-Chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 31537639
1-(6-Chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 45787120

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate (CID 1481815) is methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2cc(Cl)nc(N)n2)CC1.
What is the InChIKey of methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is ATFYGPORNCPDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-18-10(17)7-2-4-16(5-3-7)9-6-8(12)14-11(13)15-9/h6-7H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate?
methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-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-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 1481815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).