methyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate

C11H14ClN3O3 — CID 71584549

IUPACmethyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOC[C@H]2C)nc(Cl)n1
InChIInChI=1S/C11H14ClN3O3/c1-7-6-18-4-3-15(7)9-5-8(10(16)17-2)13-11(12)14-9/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKeyXZVIQCJUDMQXBK-SSDOTTSWSA-N
MW271.70 g/mol
LogP1.14
Rot. Bonds2

About methyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate

methyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate (PubChem CID 71584549) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is methyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate
PubChem CID71584549
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Namemethyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOC[C@H]2C)nc(Cl)n1
InChIInChI=1S/C11H14ClN3O3/c1-7-6-18-4-3-15(7)9-5-8(10(16)17-2)13-11(12)14-9/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKeyXZVIQCJUDMQXBK-SSDOTTSWSA-N
XLogP1.14
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate (CID 71584549) is methyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate is COC(=O)c1cc(N2CCOC[C@H]2C)nc(Cl)n1.
What is the InChIKey of methyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate?
The InChIKey is XZVIQCJUDMQXBK-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-7-6-18-4-3-15(7)9-5-8(10(16)17-2)13-11(12)14-9/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate?
methyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate has a molecular weight of 271.70 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxylate is sourced from PubChem (CID 71584549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).